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

C23H25N3OS — CID 154636982

IUPAC(2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H25N3OS/c1-16(2)18-11-6-7-12-19(18)25-23(27)26-14-8-13-21(26)22-24-20(15-28-22)17-9-4-3-5-10-17/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyKFGGJQHHSNYFNY-NRFANRHFSA-N
MW391.54 g/mol
LogP6.30
Rot. Bonds4

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

(2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 154636982) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID154636982
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name(2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H25N3OS/c1-16(2)18-11-6-7-12-19(18)25-23(27)26-14-8-13-21(26)22-24-20(15-28-22)17-9-4-3-5-10-17/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27)/t21-/m0/s1
InChIKeyKFGGJQHHSNYFNY-NRFANRHFSA-N
XLogP6.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cycloheptyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10551978
4-[2-[6-methyl-4-(1-methylindol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71292576
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]pyrrolidine-1-carboxamide
CID 118524336
(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 154636967
(2S)-N-isoquinolin-5-yl-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636979
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4437083
N'-(2,6-Dimethylphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7287552
N-[[4-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]-N-(2,6-dimethylphenyl)acetamide
CID 44529078
1-[3-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea
CID 44533692
1-[3-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-(2,2-diphenylethyl)urea
CID 44533694
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 45481811

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide (CID 154636982) is (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KFGGJQHHSNYFNY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-16(2)18-11-6-7-12-19(18)25-23(27)26-14-8-13-21(26)22-24-20(15-28-22)17-9-4-3-5-10-17/h3-7,9-12,15-16,21H,8,13-14H2,1-2H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).