1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide

C24H23N3O2S — CID 18079930

IUPAC1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-2-13-27(24-25-21(17-30-24)19-11-7-4-8-12-19)23(29)20-14-22(28)26(16-20)15-18-9-5-3-6-10-18/h2-12,17,20H,1,13-16H2
InChIKeyPWDKMKGOMPWIPD-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.38
Rot. Bonds7

About 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 18079930) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID18079930
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H23N3O2S/c1-2-13-27(24-25-21(17-30-24)19-11-7-4-8-12-19)23(29)20-14-22(28)26(16-20)15-18-9-5-3-6-10-18/h2-12,17,20H,1,13-16H2
InChIKeyPWDKMKGOMPWIPD-UHFFFAOYSA-N
XLogP4.38
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-2,3-dihydro-1-benzofuran-2-carboxamide
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N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
(1R,2R,4S)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98180033
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
1-benzyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 108761239
2-[(2-chlorophenyl)methoxy]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 55770494
1-[(4-methylphenyl)methyl]-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 78784451
4,5-dichloro-1-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrole-2-carboxamide
CID 55600754
1-acetyl-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-N-prop-2-enylpiperidine-4-carboxamide
CID 39951775

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide (CID 18079930) is 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide is C=CCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is PWDKMKGOMPWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-2-13-27(24-25-21(17-30-24)19-11-7-4-8-12-19)23(29)20-14-22(28)26(16-20)15-18-9-5-3-6-10-18/h2-12,17,20H,1,13-16H2.
What are the key properties of 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 18079930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).