(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid

C7H9ClN2O2S2 — CID 107773244

IUPAC(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
SMILESN[C@H](CSCc1cnc(Cl)s1)C(=O)O
InChIInChI=1S/C7H9ClN2O2S2/c8-7-10-1-4(14-7)2-13-3-5(9)6(11)12/h1,5H,2-3,9H2,(H,11,12)/t5-/m1/s1
InChIKeyWTHDXOHTQUIXFX-RXMQYKEDSA-N
MW252.75 g/mol
LogP1.44
Rot. Bonds5

About (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid

(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid (PubChem CID 107773244) has the molecular formula C7H9ClN2O2S2 and a molecular weight of 252.75 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
PubChem CID107773244
Molecular FormulaC7H9ClN2O2S2
Molecular Weight252.75 g/mol
Exact Mass251.98
IUPAC Name(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
SMILESN[C@H](CSCc1cnc(Cl)s1)C(=O)O
InChIInChI=1S/C7H9ClN2O2S2/c8-7-10-1-4(14-7)2-13-3-5(9)6(11)12/h1,5H,2-3,9H2,(H,11,12)/t5-/m1/s1
InChIKeyWTHDXOHTQUIXFX-RXMQYKEDSA-N
XLogP1.44
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cobicistat metabolite M2-2
CID 112640743
(R)-2,3,4,5-Tetrahydro-[2,5']bithiazolyl-4-carboxylic acid
CID 68805770
(2R,4R)-2-(1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 90785156
2-(2-Chloro-1,3-thiazol-5-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 172215971
2-[[5-(Aminomethyl)-1,3-thiazol-2-yl]sulfanyl]acetic acid;hydrochloride
CID 174908476
2-(5-Methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270064
2-(2-Chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270081
2-(1,3-Thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270204
2-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 61499328
2-[(2-Methyl-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 61517381
3-[(2-Methyl-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 61517729
(2R)-2-amino-3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 61517732

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid (CID 107773244) is (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid is N[C@H](CSCc1cnc(Cl)s1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid?
The InChIKey is WTHDXOHTQUIXFX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9ClN2O2S2/c8-7-10-1-4(14-7)2-13-3-5(9)6(11)12/h1,5H,2-3,9H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid?
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid has a molecular weight of 252.75 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 107773244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).