2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

C32H30F3N3O2S — CID 58428848

IUPAC2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1ccccc1CC(=O)c1ccc(-c2ccc(CC(=O)c3sc(CN4CCCCC4)nc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C32H30F3N3O2S/c1-21-7-3-4-8-24(21)17-27(39)23-11-9-22(10-12-23)25-13-14-26(36-19-25)18-28(40)30-31(32(33,34)35)37-29(41-30)20-38-15-5-2-6-16-38/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3
InChIKeyCIISEZOSNAYFFL-UHFFFAOYSA-N
MW577.67 g/mol
LogP7.37
Rot. Bonds9

About 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone

2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 58428848) has the molecular formula C32H30F3N3O2S and a molecular weight of 577.67 g/mol. Its IUPAC name is 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
PubChem CID58428848
Molecular FormulaC32H30F3N3O2S
Molecular Weight577.67 g/mol
Exact Mass577.20
IUPAC Name2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
SMILESCc1ccccc1CC(=O)c1ccc(-c2ccc(CC(=O)c3sc(CN4CCCCC4)nc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C32H30F3N3O2S/c1-21-7-3-4-8-24(21)17-27(39)23-11-9-22(10-12-23)25-13-14-26(36-19-25)18-28(40)30-31(32(33,34)35)37-29(41-30)20-38-15-5-2-6-16-38/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3
InChIKeyCIISEZOSNAYFFL-UHFFFAOYSA-N
XLogP7.37
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.67
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57402288
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 16746144
N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 46869046
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 57401137
6-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 137659770
5-[[4-[(1-Acetylpiperidin-4-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060728
5-[[4-[(4-Methylpiperazin-1-yl)methyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71060794
5-[[4-[(4-Methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(3-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71060797
5-[[4-[(4-Methylpiperazin-1-yl)methyl]benzoyl]amino]-2-[3-(trifluoromethyl)pyridin-4-yl]-1,3-thiazole-4-carboxamide
CID 71060832
2-(2-Fluoro-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 71060842
5-[[4-[(4-Methylpiperazin-1-yl)methyl]benzoyl]amino]-2-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71060935
2-(3-Fluoro-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 71061092

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone (CID 58428848) is 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is Cc1ccccc1CC(=O)c1ccc(-c2ccc(CC(=O)c3sc(CN4CCCCC4)nc3C(F)(F)F)nc2)cc1.
What is the InChIKey of 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is CIISEZOSNAYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N3O2S/c1-21-7-3-4-8-24(21)17-27(39)23-11-9-22(10-12-23)25-13-14-26(36-19-25)18-28(40)30-31(32(33,34)35)37-29(41-30)20-38-15-5-2-6-16-38/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3.
What are the key properties of 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone?
2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 577.67 g/mol, XLogP of 7.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[2-(2-methylphenyl)acetyl]phenyl]-2-pyridinyl]-1-[2-(piperidin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58428848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).