6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide

C14H12F3N3S — CID 63515166

IUPAC6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12F3N3S/c1-8-5-6-11(12(18)21)13(19-8)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeySUUOMHXVAHICBM-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.79
Rot. Bonds3

About 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide

6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide (PubChem CID 63515166) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
PubChem CID63515166
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12F3N3S/c1-8-5-6-11(12(18)21)13(19-8)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,21)(H,19,20)
InChIKeySUUOMHXVAHICBM-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-[4-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63519561
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
2-methyl-6-[3-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114767055
6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carbothioamide
CID 107546239
6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide
CID 62783453
2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
CID 63519396
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
CID 55224619
2-(3-bromo-2-methylanilino)-6-methylpyridine-3-carbothioamide
CID 107635463
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-N,2,5-trimethyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736431
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide?
The IUPAC name of 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide (CID 63515166) is 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide?
The canonical SMILES for 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide?
The InChIKey is SUUOMHXVAHICBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-8-5-6-11(12(18)21)13(19-8)20-10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H2,18,21)(H,19,20).
What are the key properties of 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide?
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide has a molecular weight of 311.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide is sourced from PubChem (CID 63515166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).