2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide

C25H24F3N3O2S — CID 10096962

IUPAC2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
SMILESCc1ccc([C@@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O
InChIInChI=1S/C25H24F3N3O2S/c1-14-5-6-17(12-20(14)22(29)32)18-4-3-11-31(13-18)24(33)21-15(2)30-23(34-21)16-7-9-19(10-8-16)25(26,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,29,32)/t18-/m1/s1
InChIKeyBHZLSMJVEWOZAQ-GOSISDBHSA-N
MW487.55 g/mol
LogP5.56
Rot. Bonds4

About 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide

2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (PubChem CID 10096962) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
PubChem CID10096962
Molecular FormulaC25H24F3N3O2S
Molecular Weight487.55 g/mol
Exact Mass487.15
IUPAC Name2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
SMILESCc1ccc([C@@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O
InChIInChI=1S/C25H24F3N3O2S/c1-14-5-6-17(12-20(14)22(29)32)18-4-3-11-31(13-18)24(33)21-15(2)30-23(34-21)16-7-9-19(10-8-16)25(26,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,29,32)/t18-/m1/s1
InChIKeyBHZLSMJVEWOZAQ-GOSISDBHSA-N
XLogP5.56
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645941
N-(2-diethylaminoethyl)-2,4-diphenyl-thiazole-5-carboxamide
CID 54583639
2-Methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 54670452
4-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
CID 54670455
US11608337, Example 38
CID 132085772
US11608337, Example 39
CID 132085792
2-Ethyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 137660928
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207718
3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 7222744
3,4-dimethyl-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7287435
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-2-(trifluoromethyl)benzamide
CID 16028681
[1-(4-Methylthiazole-5-carbonyl)-3-piperidyl]-(2-naphthyl)methanone
CID 24793198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The IUPAC name of 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (CID 10096962) is 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide is Cc1ccc([C@@H]2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The InChIKey is BHZLSMJVEWOZAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24F3N3O2S/c1-14-5-6-17(12-20(14)22(29)32)18-4-3-11-31(13-18)24(33)21-15(2)30-23(34-21)16-7-9-19(10-8-16)25(26,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,29,32)/t18-/m1/s1.
What are the key properties of 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide has a molecular weight of 487.55 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 10096962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).