Basic information
- CAS
328288-91-1- Standard SMILES
O=C(O)Cc1csc(NC(=O)CSc2ccccn2)n1- InChIKey
ZHIRQSBWQRKLGU-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3S2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.02418357
Names & identifiers
- Preferred name
- (2-{[(2-Pyridinylthio)acetyl]amino}-1,3-thiazol-4-yl)acetic acid
- IUPAC
- 2-[2-[(2-pyridin-2-ylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
- English name
- (2-(((2-Pyridinylthio)acetyl)amino)-1,3-thiazol-4-yl)acetic acid
- Molecular formula
- C12H11N3O3S2
- Molecular weight
- 309.37
Names & synonyms
328288-91-1Oprea1_474369CHEMBL233399SCHEMBL5717607DTXSID401192846(2-{[(2-pyridinylthio)acetyl]amino}-1,3-thiazol-4-yl)acetic acidAKOS024327003AE-641/095760332-[[2-(2-Pyridinylthio)acetyl]amino]-4-thiazoleacetic acid(2-{[(2-pyridinylsulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetic acid(2-{2-[(Pyridin-2-yl)sulfanyl]acetamido}-1,3-thiazol-4-yl)acetic acid4-Thiazoleacetic acid, 2-[[2-(2-pyridinylthio)acetyl]amino]-
Show more names
(2-(((2-Pyridinylthio)acetyl)amino)-1,3-thiazol-4-yl)acetic acid
Database identifiers
- CAS
328288-91-1- PubChem CID
- 677101
- DTXSID
DTXSID401192846- ChEMBL
CHEMBL233399
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Density
- 1.513 · 1.513±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.78 · 3.780±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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