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

C18H14F3N3OS — CID 24764835

IUPAC3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1nc(C)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H14F3N3OS/c1-10-9-22-7-6-14(10)16(25)24-17-23-11(2)15(26-17)12-4-3-5-13(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,24,25)
InChIKeyFHAOWTQICJXLCH-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.09
Rot. Bonds3

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

3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 24764835) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID24764835
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)Nc1nc(C)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C18H14F3N3OS/c1-10-9-22-7-6-14(10)16(25)24-17-23-11(2)15(26-17)12-4-3-5-13(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,24,25)
InChIKeyFHAOWTQICJXLCH-UHFFFAOYSA-N
XLogP5.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 24764835) is 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1nc(C)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is FHAOWTQICJXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-10-9-22-7-6-14(10)16(25)24-17-23-11(2)15(26-17)12-4-3-5-13(8-12)18(19,20)21/h3-9H,1-2H3,(H,23,24,25).
What are the key properties of 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 24764835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).