(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C20H18FN3OS — CID 154636966

IUPAC(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18FN3OS/c21-15-8-4-9-16(12-15)22-20(25)24-11-5-10-18(24)19-23-17(13-26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,18H,5,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyHKWJRJMENPSION-SFHVURJKSA-N
MW367.45 g/mol
LogP5.32
Rot. Bonds3

About (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 154636966) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID154636966
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H18FN3OS/c21-15-8-4-9-16(12-15)22-20(25)24-11-5-10-18(24)19-23-17(13-26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,18H,5,10-11H2,(H,22,25)/t18-/m0/s1
InChIKeyHKWJRJMENPSION-SFHVURJKSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 73211783
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
1-Cycloheptyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10551978
3-[2-(dimethylamino)ethyl]-5-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1H-benzimidazol-2-one
CID 73387296
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524281
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524282
N-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524284

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 154636966) is (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is HKWJRJMENPSION-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-15-8-4-9-16(12-15)22-20(25)24-11-5-10-18(24)19-23-17(13-26-19)14-6-2-1-3-7-14/h1-4,6-9,12-13,18H,5,10-11H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).