1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H20ClN3O3S — CID 108760142

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O
InChIInChI=1S/C18H20ClN3O3S/c1-10(14-9-26-11(2)21-14)20-18(24)12-6-17(23)22(8-12)15-7-13(19)4-5-16(15)25-3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,20,24)
InChIKeyPVOYEKVCKZTPBT-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.34
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108760142) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108760142
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O
InChIInChI=1S/C18H20ClN3O3S/c1-10(14-9-26-11(2)21-14)20-18(24)12-6-17(23)22(8-12)15-7-13(19)4-5-16(15)25-3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,20,24)
InChIKeyPVOYEKVCKZTPBT-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-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

1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 56558466
1-(5-chloro-2-methoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55589291
1-(2-methyl-1,3-benzothiazol-5-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108737240
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788294
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702014
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
1-(2-ethyl-6-methylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108760146
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
N-(3-amino-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119419417
(3S)-1-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8714268
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 108760142) is 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cl)cc1N1CC(C(=O)NC(C)c2csc(C)n2)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVOYEKVCKZTPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-10(14-9-26-11(2)21-14)20-18(24)12-6-17(23)22(8-12)15-7-13(19)4-5-16(15)25-3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,20,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108760142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).