2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C19H15ClN4O2S — CID 75469990

IUPAC2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C19H15ClN4O2S/c20-15-6-5-13(24-8-2-4-17(24)25)9-14(15)18(26)23-19-22-16(11-27-19)12-3-1-7-21-10-12/h1,3,5-7,9-11H,2,4,8H2,(H,22,23,26)
InChIKeyRNNHUJPNYIBUEA-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 75469990) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID75469990
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C19H15ClN4O2S/c20-15-6-5-13(24-8-2-4-17(24)25)9-14(15)18(26)23-19-22-16(11-27-19)12-3-1-7-21-10-12/h1,3,5-7,9-11H,2,4,8H2,(H,22,23,26)
InChIKeyRNNHUJPNYIBUEA-UHFFFAOYSA-N
XLogP4.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
2,5-dimethyl-1-(2-methylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 55467738
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 17450848
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 36537470
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 46628962
2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 53367854
2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 26843289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 75469990) is 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RNNHUJPNYIBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-15-6-5-13(24-8-2-4-17(24)25)9-14(15)18(26)23-19-22-16(11-27-19)12-3-1-7-21-10-12/h1,3,5-7,9-11H,2,4,8H2,(H,22,23,26).
What are the key properties of 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 398.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 75469990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).