2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
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![2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/17b61a95b43642f288251cbecd8fb096.png "2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid")
2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
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CAS No:
80066-81-5
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Formula:
C16H15N3O2S2
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Chemical Name:
2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
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Synonyms:
2-((1,5,10,10a-tetrahydro-3H-thiazolo(3,4b)isoquinolin-3-ylidene)amino)-4-thiazole acetic acid;44081 RP;RP 44081;RP-44081;RP-44081;80066-81-5;SCHEMBL11253141;(S)-3-[(4-carboxymethylthiazol-2-yl)imino]-1,5,10,10a-tetrahydrothiazolo[3,4-b]-isoquinoline;2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid
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CAS No:
2-[2-[[(10aS)-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylidene]amino]-1,3-thiazol-4-yl]acetic acid Basic Attributes
345.4 g/mol
345.06056908 g/mol
Drug Information
2-((1,5,10,10a-tetrahydro-3H-thiazolo(3,4b)isoquinolin-3-ylidene)amino)-4-thiazole acetic acid
Computed Properties
Molecular Weight:345.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:345.06056908
Monoisotopic Mass:345.06056908
Topological Polar Surface Area:119
Heavy Atom Count:23
Complexity:502
Defined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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