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

C25H24F3N3O2S — CID 10254897

IUPAC2-methyl-5-[(3R)-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-/m0/s1
InChIKeyBHZLSMJVEWOZAQ-SFHVURJKSA-N
MW487.55 g/mol
LogP5.56
Rot. Bonds4

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

2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (PubChem CID 10254897) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
PubChem CID10254897
Molecular FormulaC25H24F3N3O2S
Molecular Weight487.55 g/mol
Exact Mass487.15
IUPAC Name2-methyl-5-[(3R)-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-/m0/s1
InChIKeyBHZLSMJVEWOZAQ-SFHVURJKSA-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The IUPAC name of 2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (CID 10254897) is 2-methyl-5-[(3R)-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-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-5-[(3R)-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-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
The InChIKey is BHZLSMJVEWOZAQ-SFHVURJKSA-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-/m0/s1.
What are the key properties of 2-methyl-5-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?
2-methyl-5-[(3R)-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-[(3R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 10254897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).