(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C9H8N2O2S — CID 7032537

IUPAC(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cccnc2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1
InChIKeyLJGAQGZEJDQDAU-SSDOTTSWSA-N
MW208.24 g/mol
LogP1.03
Rot. Bonds2

About (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 7032537) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID7032537
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cccnc2)=N1
InChIInChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1
InChIKeyLJGAQGZEJDQDAU-SSDOTTSWSA-N
XLogP1.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic 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

(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 7032538
(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25259748
2-phenyl-3-[3-[4-[(4R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carbonyl]piperazin-1-yl]propoxy]chromen-4-one
CID 67838646
2-(4-bromo-3-methoxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374429
(3-hydroxypyrrolidin-1-yl)-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 62916930
[(5R)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl] hydrogen carbonate
CID 123461305
3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 71081189
[4-(hydroxymethyl)piperidin-1-yl]-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone
CID 60956763
2-(4-methyl-2-pyridin-3-yl-5H-1,3-thiazol-4-yl)acetic acid
CID 23467909
2-(2-bromo-5-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 171374439
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-methyl-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43353957

Frequently Asked Questions

What is the IUPAC name of (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 7032537) is (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@H]1CSC(c2cccnc2)=N1.
What is the InChIKey of (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is LJGAQGZEJDQDAU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-4,7H,5H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-pyridin-3-yl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 7032537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).