6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide

C14H14FN3S — CID 64589215

IUPAC6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
SMILESCN(Cc1cccc(F)c1)c1cccc(C(N)=S)n1
InChIInChI=1S/C14H14FN3S/c1-18(9-10-4-2-5-11(15)8-10)13-7-3-6-12(17-13)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyHJDJBAAWQUVVPF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.49
Rot. Bonds4

About 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide

6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide (PubChem CID 64589215) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
PubChem CID64589215
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
SMILESCN(Cc1cccc(F)c1)c1cccc(C(N)=S)n1
InChIInChI=1S/C14H14FN3S/c1-18(9-10-4-2-5-11(15)8-10)13-7-3-6-12(17-13)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyHJDJBAAWQUVVPF-UHFFFAOYSA-N
XLogP2.49
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.49
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

6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
6-[(4-chlorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589054
6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbothioamide
CID 64589435
2-[(3-fluorophenyl)methyl-methylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61175772
6-(dimethylamino)pyridine-2-carbothioamide
CID 64587455
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62477954
6-(diethylamino)pyridine-2-carbothioamide
CID 64587426
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]methyl]benzenecarbothioamide
CID 64830250
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide (CID 64589215) is 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide is CN(Cc1cccc(F)c1)c1cccc(C(N)=S)n1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide?
The InChIKey is HJDJBAAWQUVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-18(9-10-4-2-5-11(15)8-10)13-7-3-6-12(17-13)14(16)19/h2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide?
6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide has a molecular weight of 275.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).