5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H12ClN3O2S — CID 29181945

IUPAC5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H]1c1nccs1
InChIInChI=1S/C13H12ClN3O2S/c14-8-6-9(11(18)16-7-8)13(19)17-4-1-2-10(17)12-15-3-5-20-12/h3,5-7,10H,1-2,4H2,(H,16,18)/t10-/m0/s1
InChIKeyAWRQVTQTAOGTTF-JTQLQIEISA-N
MW309.78 g/mol
LogP2.46
Rot. Bonds2

About 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 29181945) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID29181945
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H]1c1nccs1
InChIInChI=1S/C13H12ClN3O2S/c14-8-6-9(11(18)16-7-8)13(19)17-4-1-2-10(17)12-15-3-5-20-12/h3,5-7,10H,1-2,4H2,(H,16,18)/t10-/m0/s1
InChIKeyAWRQVTQTAOGTTF-JTQLQIEISA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one 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-(1-adamantyl)-5-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97117782
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
5-chloro-3-[(2S)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95189791
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764
[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 91788421
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
4-fluoro-3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 72924061
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72896225
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 29181945) is 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc(Cl)c[nH]c1=O)N1CCC[C@H]1c1nccs1.
What is the InChIKey of 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AWRQVTQTAOGTTF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-8-6-9(11(18)16-7-8)13(19)17-4-1-2-10(17)12-15-3-5-20-12/h3,5-7,10H,1-2,4H2,(H,16,18)/t10-/m0/s1.
What are the key properties of 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 309.78 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 29181945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).