1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C20H23N3O4S2 — CID 43066354

IUPAC1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3CC(=O)N(C4CCS(=O)(=O)C4)C3)s2)c1
InChIInChI=1S/C20H23N3O4S2/c1-13-3-2-4-14(7-13)8-17-10-21-20(28-17)22-19(25)15-9-18(24)23(11-15)16-5-6-29(26,27)12-16/h2-4,7,10,15-16H,5-6,8-9,11-12H2,1H3,(H,21,22,25)
InChIKeyNCXXZYFZORKBIJ-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.02
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43066354) has the molecular formula C20H23N3O4S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43066354
Molecular FormulaC20H23N3O4S2
Molecular Weight433.56 g/mol
Exact Mass433.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3CC(=O)N(C4CCS(=O)(=O)C4)C3)s2)c1
InChIInChI=1S/C20H23N3O4S2/c1-13-3-2-4-14(7-13)8-17-10-21-20(28-17)22-19(25)15-9-18(24)23(11-15)16-5-6-29(26,27)12-16/h2-4,7,10,15-16H,5-6,8-9,11-12H2,1H3,(H,21,22,25)
InChIKeyNCXXZYFZORKBIJ-UHFFFAOYSA-N
XLogP2.02
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911481
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51939886
(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 51953771
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 51727389
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 51939881
(3R)-7-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7172824

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 43066354) is 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(Cc2cnc(NC(=O)C3CC(=O)N(C4CCS(=O)(=O)C4)C3)s2)c1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NCXXZYFZORKBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S2/c1-13-3-2-4-14(7-13)8-17-10-21-20(28-17)22-19(25)15-9-18(24)23(11-15)16-5-6-29(26,27)12-16/h2-4,7,10,15-16H,5-6,8-9,11-12H2,1H3,(H,21,22,25).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43066354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).