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

C17H19N3O2S2 — CID 55548552

IUPAC1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NCc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C17H19N3O2S2/c1-11-10-24-15(19-11)8-18-17(22)12-7-16(21)20(9-12)13-3-5-14(23-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,18,22)
InChIKeyQCCMXXOGTOCPFH-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.84
Rot. Bonds5

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

1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55548552) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55548552
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)NCc3nc(C)cs3)CC2=O)cc1
InChIInChI=1S/C17H19N3O2S2/c1-11-10-24-15(19-11)8-18-17(22)12-7-16(21)20(9-12)13-3-5-14(23-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,18,22)
InChIKeyQCCMXXOGTOCPFH-UHFFFAOYSA-N
XLogP2.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfanylphenyl)-5-oxo-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 56586252
(3R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 30176577
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
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136577
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-[(4-carbamoylphenyl)methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46560661
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55543635
(3R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 94172181
N-(2-amino-2-ethylbutyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119642525

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55548552) is 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CSc1ccc(N2CC(C(=O)NCc3nc(C)cs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QCCMXXOGTOCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-11-10-24-15(19-11)8-18-17(22)12-7-16(21)20(9-12)13-3-5-14(23-2)6-4-13/h3-6,10,12H,7-9H2,1-2H3,(H,18,22).
What are the key properties of 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55548552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).