3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide

C18H16N4O2S — CID 36537470

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16N4O2S/c23-16-7-3-9-22(16)13-5-1-4-12(10-13)17(24)21-18-20-15(11-25-18)14-6-2-8-19-14/h1-2,4-6,8,10-11,19H,3,7,9H2,(H,20,21,24)
InChIKeyZLXKVYRIGIPDLL-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.52
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 36537470) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID36537470
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16N4O2S/c23-16-7-3-9-22(16)13-5-1-4-12(10-13)17(24)21-18-20-15(11-25-18)14-6-2-8-19-14/h1-2,4-6,8,10-11,19H,3,7,9H2,(H,20,21,24)
InChIKeyZLXKVYRIGIPDLL-UHFFFAOYSA-N
XLogP3.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 42929670
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
2-chloro-5-(2-oxopyrrolidin-1-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75469990
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
3-(2-oxopyrrolidin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 36537470) is 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZLXKVYRIGIPDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c23-16-7-3-9-22(16)13-5-1-4-12(10-13)17(24)21-18-20-15(11-25-18)14-6-2-8-19-14/h1-2,4-6,8,10-11,19H,3,7,9H2,(H,20,21,24).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 36537470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).