[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C14H14ClN3OS — CID 656219

IUPAC[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyONAKBAHUXLBOGH-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.78
Rot. Bonds3

About [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 656219) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID656219
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1
InChIInChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyONAKBAHUXLBOGH-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone 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

1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 1096742
2-(N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chloroanilino)-N-methylpropanamide
CID 44522333
[2-(4-Chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818278
[2-(4-Chloro-2-fluoroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818280
2-((4-chloro-3,5-difluorophenyl)amino)-N-(3-isopropoxypropyl)thiazole-4-carboxamide
CID 155491023
2-(3,4-dichloroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 155510629
2-(4-chloro-3,5-difluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 155520417
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155543855
2-(4-chloro-3-fluoroanilino)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 155548983
2-(4-chloro-3-fluoroanilino)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 155561235
2-(2-chloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 44405335

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 656219) is [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1csc(Nc2ccccc2Cl)n1)N1CCCC1.
What is the InChIKey of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ONAKBAHUXLBOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-10-5-1-2-6-11(10)16-14-17-12(9-20-14)13(19)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 307.81 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 656219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).