N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

C28H25F3N4OS — CID 59317981

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4OS/c1-18-25(20-6-3-2-4-7-20)33-27(37-18)34-26(36)22-10-11-24(32-17-22)35-14-12-19(13-15-35)21-8-5-9-23(16-21)28(29,30)31/h2-11,16-17,19H,12-15H2,1H3,(H,33,34,36)
InChIKeyHGRGZFZAKUMCSZ-UHFFFAOYSA-N
MW522.60 g/mol
LogP7.17
Rot. Bonds5

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 59317981) has the molecular formula C28H25F3N4OS and a molecular weight of 522.60 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID59317981
Molecular FormulaC28H25F3N4OS
Molecular Weight522.60 g/mol
Exact Mass522.17
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1
InChIInChI=1S/C28H25F3N4OS/c1-18-25(20-6-3-2-4-7-20)33-27(37-18)34-26(36)22-10-11-24(32-17-22)35-14-12-19(13-15-35)21-8-5-9-23(16-21)28(29,30)31/h2-11,16-17,19H,12-15H2,1H3,(H,33,34,36)
InChIKeyHGRGZFZAKUMCSZ-UHFFFAOYSA-N
XLogP7.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.60
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide (CID 59317981) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is Cc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HGRGZFZAKUMCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4OS/c1-18-25(20-6-3-2-4-7-20)33-27(37-18)34-26(36)22-10-11-24(32-17-22)35-14-12-19(13-15-35)21-8-5-9-23(16-21)28(29,30)31/h2-11,16-17,19H,12-15H2,1H3,(H,33,34,36).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 522.60 g/mol, XLogP of 7.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 59317981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).