ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
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ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
structure -
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CAS No:
838844-16-9
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Formula:
C18H16N6O2S3
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Chemical Name:
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate
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Synonyms:
CBKinase1_012301;CBKinase1_024701;C18H16N6O2S3;ZINC9009711;STK850070;STL436006;AKOS001714234;AKOS005629126;MCULE-8464418242;SR-01000301490;SR-01000301490-1;BRD-K97951735-001-01-3;838844-16-9;ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate;ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl}pyrimidine-5-carboxylate;ethyl 2-[(2Z)-1,3-benzothiazol-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-benzothiazol-2-ylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimidine-5-carboxylate Basic Attributes
444.6 g/mol
444.04968730 g/mol
Computed Properties
Molecular Weight:444.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:444.04968730
Monoisotopic Mass:444.04968730
Topological Polar Surface Area:185
Heavy Atom Count:29
Complexity:562
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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