4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C26H24F3N3OS — CID 25125193

IUPAC4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H24F3N3OS/c1-17(2)11-19-13-23(32(15-19)14-18-7-6-10-21(12-18)26(27,28)29)24(33)31-25-30-22(16-34-25)20-8-4-3-5-9-20/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,31,33)
InChIKeyLXWZAQPWBPUWIB-UHFFFAOYSA-N
MW483.56 g/mol
LogP7.13
Rot. Bonds7

About 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 25125193) has the molecular formula C26H24F3N3OS and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID25125193
Molecular FormulaC26H24F3N3OS
Molecular Weight483.56 g/mol
Exact Mass483.16
IUPAC Name4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)n(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C26H24F3N3OS/c1-17(2)11-19-13-23(32(15-19)14-18-7-6-10-21(12-18)26(27,28)29)24(33)31-25-30-22(16-34-25)20-8-4-3-5-9-20/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,31,33)
InChIKeyLXWZAQPWBPUWIB-UHFFFAOYSA-N
XLogP7.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 55829629
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
(2R)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 94371570
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4260548
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-(4-phenyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 88946343
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
4-methoxy-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide
CID 47045100

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 25125193) is 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is CC(C)Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)n(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is LXWZAQPWBPUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3OS/c1-17(2)11-19-13-23(32(15-19)14-18-7-6-10-21(12-18)26(27,28)29)24(33)31-25-30-22(16-34-25)20-8-4-3-5-9-20/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,31,33).
What are the key properties of 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 25125193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).