N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C14H13N3O2S — CID 62045003

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cscn1
InChIInChI=1S/C14H13N3O2S/c18-13-5-2-6-17(13)11-4-1-3-10(7-11)16-14(19)12-8-20-9-15-12/h1,3-4,7-9H,2,5-6H2,(H,16,19)
InChIKeyODRYRQOVYVZAIR-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.52
Rot. Bonds3

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62045003) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62045003
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cscn1
InChIInChI=1S/C14H13N3O2S/c18-13-5-2-6-17(13)11-4-1-3-10(7-11)16-14(19)12-8-20-9-15-12/h1,3-4,7-9H,2,5-6H2,(H,16,19)
InChIKeyODRYRQOVYVZAIR-UHFFFAOYSA-N
XLogP2.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18098119
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
1-(2-methoxyethyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 38713115
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylthiophene-2-carboxamide
CID 26955894

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 62045003) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cscn1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ODRYRQOVYVZAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-13-5-2-6-17(13)11-4-1-3-10(7-11)16-14(19)12-8-20-9-15-12/h1,3-4,7-9H,2,5-6H2,(H,16,19).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).