2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

C17H18ClN3O2S — CID 49372790

IUPAC2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H18ClN3O2S/c18-13-6-2-1-5-12(13)17-20-11-14(24-17)16(23)19-8-7-15(22)21-9-3-4-10-21/h1-2,5-6,11H,3-4,7-10H2,(H,19,23)
InChIKeyQKUGVZTVAGRFRS-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.21
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 49372790) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID49372790
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H18ClN3O2S/c18-13-6-2-1-5-12(13)17-20-11-14(24-17)16(23)19-8-7-15(22)21-9-3-4-10-21/h1-2,5-6,11H,3-4,7-10H2,(H,19,23)
InChIKeyQKUGVZTVAGRFRS-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 49322069
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
3,4-dichloro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 56782028

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 49372790) is 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is O=C(NCCC(=O)N1CCCC1)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QKUGVZTVAGRFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-13-6-2-1-5-12(13)17-20-11-14(24-17)16(23)19-8-7-15(22)21-9-3-4-10-21/h1-2,5-6,11H,3-4,7-10H2,(H,19,23).
What are the key properties of 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49372790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).