3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide

C10H12F3N3S — CID 114288619

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide
SMILESCN(CCC(F)(F)F)c1cnccc1C(N)=S
InChIInChI=1S/C10H12F3N3S/c1-16(5-3-10(11,12)13)8-6-15-4-2-7(8)9(14)17/h2,4,6H,3,5H2,1H3,(H2,14,17)
InChIKeyNOBGUGOCTWSHDH-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.10
Rot. Bonds4

About 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide

3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide (PubChem CID 114288619) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide
PubChem CID114288619
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide
SMILESCN(CCC(F)(F)F)c1cnccc1C(N)=S
InChIInChI=1S/C10H12F3N3S/c1-16(5-3-10(11,12)13)8-6-15-4-2-7(8)9(14)17/h2,4,6H,3,5H2,1H3,(H2,14,17)
InChIKeyNOBGUGOCTWSHDH-UHFFFAOYSA-N
XLogP2.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]pyridine-4-carbothioamide
CID 114288238
3-[methyl(3-methylbutyl)amino]pyridine-4-carbothioamide
CID 114288272
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetamide
CID 114288187
3-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114288533
ethyl 2-[(4-carbamothioyl-3-pyridinyl)-methylamino]acetate
CID 114288353
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 113269580
2-[(4-carbamothioyl-3-pyridinyl)-methylamino]-N-propylacetamide
CID 113269585
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-4-carbothioamide
CID 114288408
2-amino-5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carboxamide
CID 114195200
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
CID 81248000
3-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarbothioamide
CID 82804762

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide (CID 114288619) is 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide is CN(CCC(F)(F)F)c1cnccc1C(N)=S.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide?
The InChIKey is NOBGUGOCTWSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-16(5-3-10(11,12)13)8-6-15-4-2-7(8)9(14)17/h2,4,6H,3,5H2,1H3,(H2,14,17).
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide?
3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide has a molecular weight of 263.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114288619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).