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

C18H19N3O2S — CID 95306606

IUPAC(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)n1
InChIInChI=1S/C18H19N3O2S/c1-11-10-24-18(19-11)12-2-4-14(5-3-12)20-17(23)13-8-16(22)21(9-13)15-6-7-15/h2-5,10,13,15H,6-9H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyZAITZUQLCSLGOV-CYBMUJFWSA-N
MW341.44 g/mol
LogP3.07
Rot. Bonds4

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

(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95306606) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95306606
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)n1
InChIInChI=1S/C18H19N3O2S/c1-11-10-24-18(19-11)12-2-4-14(5-3-12)20-17(23)13-8-16(22)21(9-13)15-6-7-15/h2-5,10,13,15H,6-9H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyZAITZUQLCSLGOV-CYBMUJFWSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-tert-butyl-5-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 108751465
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 42917876
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 75401892
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclopentyl-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8569707
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 95306606) is (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1csc(-c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)cc2)n1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZAITZUQLCSLGOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-10-24-18(19-11)12-2-4-14(5-3-12)20-17(23)13-8-16(22)21(9-13)15-6-7-15/h2-5,10,13,15H,6-9H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95306606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).