ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
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![ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b6fcc4e3fdaa426e9bb87da2d1e5abe8.png "ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate")
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
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CAS No:
669745-93-1
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Formula:
C18H16N6O3S2
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Chemical Name:
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
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Synonyms:
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}pyrimidine-5-carboxylate;SMR000076199;MLS000049625;ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}-5-pyrimidinecarboxylate;ChemDiv2_005198;CBKinase1_005952;CBKinase1_018352;MLS000115555;CHEMBL1404860;HMS1383M06;HMS2378B22;ZINC9016128;STK167081;STK847954;AKOS001697324;AKOS005628104;MCULE-8683951515;IDI1_003913;ST50107129;AB00392512-07;BRD-K91413454-001-01-9;669745-93-1;ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate;ethyl 2-(benzoxazol-2-ylamino)-4-[(5-methyl(1,3,4-thiadiazol-2-ylthio))methyl] pyrimidine-5-carboxylate;ethyl 2-[(2E)-1,3-benzoxazol-2(3H)-ylideneamino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
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CAS No:
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Basic Attributes
428.5 g/mol
428.07253074 g/mol
Computed Properties
Molecular Weight:428.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:428.07253074
Monoisotopic Mass:428.07253074
Topological Polar Surface Area:170
Heavy Atom Count:29
Complexity:562
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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