1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

C21H20N4O2S2 — CID 56586252

IUPAC1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NCc3nc(-c4ccncc4)cs3)CC2=O)cc1
InChIInChI=1S/C21H20N4O2S2/c1-28-17-4-2-16(3-5-17)25-12-15(10-20(25)26)21(27)23-11-19-24-18(13-29-19)14-6-8-22-9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,27)
InChIKeyCVOWLVOXBYYTJU-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide

1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 56586252) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID56586252
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NCc3nc(-c4ccncc4)cs3)CC2=O)cc1
InChIInChI=1S/C21H20N4O2S2/c1-28-17-4-2-16(3-5-17)25-12-15(10-20(25)26)21(27)23-11-19-24-18(13-29-19)14-6-8-22-9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,27)
InChIKeyCVOWLVOXBYYTJU-UHFFFAOYSA-N
XLogP3.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-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-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55548552
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
1-(4-methylsulfanylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43050125
2-[[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244731
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136577
N-[(4-carbamoylphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46560661
1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 42944485
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55543635
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 7337164

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide (CID 56586252) is 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide is CSc1ccc(N2CC(C(=O)NCc3nc(-c4ccncc4)cs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CVOWLVOXBYYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-28-17-4-2-16(3-5-17)25-12-15(10-20(25)26)21(27)23-11-19-24-18(13-29-19)14-6-8-22-9-7-14/h2-9,13,15H,10-12H2,1H3,(H,23,27).
What are the key properties of 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide?
1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).