2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide

C14H14FN3S — CID 114767192

IUPAC2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3S/c1-9-5-11(14(16)19)7-13(18-9)17-8-10-3-2-4-12(15)6-10/h2-7H,8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyUCZARVXBEPSWFC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.78
Rot. Bonds4

About 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide

2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767192) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
PubChem CID114767192
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3S/c1-9-5-11(14(16)19)7-13(18-9)17-8-10-3-2-4-12(15)6-10/h2-7H,8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyUCZARVXBEPSWFC-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.78
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

2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzenecarbothioamide
CID 107934495
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
2-[(3-fluorophenyl)methylamino]-4-methoxybenzenecarbothioamide
CID 81306829
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide (CID 114767192) is 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide?
The InChIKey is UCZARVXBEPSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-9-5-11(14(16)19)7-13(18-9)17-8-10-3-2-4-12(15)6-10/h2-7H,8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide?
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide has a molecular weight of 275.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).