1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide

C16H17N3O2S — CID 110674300

IUPAC1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)C2CCC(=O)N2Cc2ccccc2)n1
InChIInChI=1S/C16H17N3O2S/c1-11-10-22-16(17-11)18-15(21)13-7-8-14(20)19(13)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,17,18,21)
InChIKeyGHSMOZHZMCTJND-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.58
Rot. Bonds4

About 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110674300) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110674300
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1csc(NC(=O)C2CCC(=O)N2Cc2ccccc2)n1
InChIInChI=1S/C16H17N3O2S/c1-11-10-22-16(17-11)18-15(21)13-7-8-14(20)19(13)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,17,18,21)
InChIKeyGHSMOZHZMCTJND-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3704549
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-5-oxopyrrolidine-2-carboxamide
CID 110628701
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 110674300) is 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is Cc1csc(NC(=O)C2CCC(=O)N2Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GHSMOZHZMCTJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-10-22-16(17-11)18-15(21)13-7-8-14(20)19(13)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3,(H,17,18,21).
What are the key properties of 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110674300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).