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

C17H12F3N3OS — CID 157277638

IUPAC5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-3-1-2-10(4-13)5-15-23-14(9-25-15)11-6-12(16(21)24)8-22-7-11/h1-4,6-9H,5H2,(H2,21,24)
InChIKeyAZHFVXYPPBIMQZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.91
Rot. Bonds4

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

5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide (PubChem CID 157277638) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
PubChem CID157277638
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-3-1-2-10(4-13)5-15-23-14(9-25-15)11-6-12(16(21)24)8-22-7-11/h1-4,6-9H,5H2,(H2,21,24)
InChIKeyAZHFVXYPPBIMQZ-UHFFFAOYSA-N
XLogP3.91
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole
CID 159715926
N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
CID 159715925
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
ethyl 3-fluoro-4-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzoate
CID 66939745
2-[[4-(oxiran-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 143872478
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
4-(5-bromo-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-fluoro-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;4-(5-isocyano-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;bis(4-(6-methyl-3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole);4-quinolin-3-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridin-2-amine;5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-2-carboxamide
CID 158461990
1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115089163
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926
3-[2-[3-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]benzoic acid
CID 178069307
N-(2,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3512008
1-oxido-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]pyridin-1-ium-3-carboxamide
CID 156517790

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide (CID 157277638) is 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
The InChIKey is AZHFVXYPPBIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-3-1-2-10(4-13)5-15-23-14(9-25-15)11-6-12(16(21)24)8-22-7-11/h1-4,6-9H,5H2,(H2,21,24).
What are the key properties of 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide?
5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157277638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).