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

C12H10F3N3OS — CID 86836166

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C12H10F3N3OS/c1-7-16-5-9(20-7)6-18-11(19)8-2-3-10(17-4-8)12(13,14)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyGEIWCBSHUACZSX-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.80
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86836166) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86836166
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ncc(CNC(=O)c2ccc(C(F)(F)F)nc2)s1
InChIInChI=1S/C12H10F3N3OS/c1-7-16-5-9(20-7)6-18-11(19)8-2-3-10(17-4-8)12(13,14)15/h2-5H,6H2,1H3,(H,18,19)
InChIKeyGEIWCBSHUACZSX-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717697
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86836135
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
3-[4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 76907016
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
4-ethoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-nitrobenzamide
CID 86836288

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 86836166) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1ncc(CNC(=O)c2ccc(C(F)(F)F)nc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GEIWCBSHUACZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-7-16-5-9(20-7)6-18-11(19)8-2-3-10(17-4-8)12(13,14)15/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 301.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86836166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).