3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid

C6H6ClNO3S — CID 130614894

IUPAC3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO3S/c7-6-8-2-4(12-6)3(9)1-5(10)11/h2-3,9H,1H2,(H,10,11)
InChIKeyJDHSSHGXWHLOKD-UHFFFAOYSA-N
MW207.64 g/mol
LogP1.30
Rot. Bonds3

About 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid

3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid (PubChem CID 130614894) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
PubChem CID130614894
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid
SMILESO=C(O)CC(O)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClNO3S/c7-6-8-2-4(12-6)3(9)1-5(10)11/h2-3,9H,1H2,(H,10,11)
InChIKeyJDHSSHGXWHLOKD-UHFFFAOYSA-N
XLogP1.30
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic 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

2-[(R)-(2-chloro-1,3-thiazol-5-yl)-hydroxymethyl]-2-hydroxybutanoic acid
CID 175002854
2-chloro-5-(3-methylbutan-2-yl)-1,3-thiazole
CID 140919580
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124440
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
N-[2-chloro-1-(2-chloro-1,3-thiazol-5-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 135345940
3-hydroxy-3-(5-methyl-1,3-thiazol-4-yl)propanoic acid
CID 82405482
(2S)-2-amino-3-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773244
3-(5-chlorothiophen-2-yl)-3-pyrimidin-4-ylpropanoic acid
CID 116833981

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid?
The IUPAC name of 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid (CID 130614894) is 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid is O=C(O)CC(O)c1cnc(Cl)s1.
What is the InChIKey of 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid?
The InChIKey is JDHSSHGXWHLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-6-8-2-4(12-6)3(9)1-5(10)11/h2-3,9H,1H2,(H,10,11).
What are the key properties of 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid?
3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid has a molecular weight of 207.64 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1,3-thiazol-5-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 130614894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).