(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C18H20FN3O2S — CID 92628068

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H20FN3O2S/c1-11(2)15-10-25-18(20-15)21-17(24)13-7-16(23)22(9-13)8-12-4-3-5-14(19)6-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyZIJQHVJXRIDTQL-ZDUSSCGKSA-N
MW361.44 g/mol
LogP3.39
Rot. Bonds5

About (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 92628068) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID92628068
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1
InChIInChI=1S/C18H20FN3O2S/c1-11(2)15-10-25-18(20-15)21-17(24)13-7-16(23)22(9-13)8-12-4-3-5-14(19)6-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyZIJQHVJXRIDTQL-ZDUSSCGKSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 26362758
(3R)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 124879260
1-benzyl-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108768265
1-benzyl-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550193
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
ethyl 2-[2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 16602610
(3R)-1-[(3-bromophenyl)methyl]-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017753
1-[(4-methylphenyl)methyl]-5-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 16550159
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 46705210
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226
N-(1,3-benzothiazol-2-yl)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 3536846

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 92628068) is (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1csc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZIJQHVJXRIDTQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-11(2)15-10-25-18(20-15)21-17(24)13-7-16(23)22(9-13)8-12-4-3-5-14(19)6-12/h3-6,10-11,13H,7-9H2,1-2H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
(3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-5-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92628068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).