3-(2-fluoroethylamino)pyridine-4-carbothioamide

C8H10FN3S — CID 130504428

IUPAC3-(2-fluoroethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCCF
InChIInChI=1S/C8H10FN3S/c9-2-4-12-7-5-11-3-1-6(7)8(10)13/h1,3,5,12H,2,4H2,(H2,10,13)
InChIKeyUYLAMAYLEDOVPY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.10
Rot. Bonds4

About 3-(2-fluoroethylamino)pyridine-4-carbothioamide

3-(2-fluoroethylamino)pyridine-4-carbothioamide (PubChem CID 130504428) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(2-fluoroethylamino)pyridine-4-carbothioamide
PubChem CID130504428
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name3-(2-fluoroethylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCCF
InChIInChI=1S/C8H10FN3S/c9-2-4-12-7-5-11-3-1-6(7)8(10)13/h1,3,5,12H,2,4H2,(H2,10,13)
InChIKeyUYLAMAYLEDOVPY-UHFFFAOYSA-N
XLogP1.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.10
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

3-(3-sulfamoylpropylamino)pyridine-4-carbothioamide
CID 114288424
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
2-(2-fluoroethylamino)benzenecarbothioamide
CID 130504409
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide
CID 106292919
3-(3-pyrrolidin-1-ylpropylamino)pyridine-4-carbothioamide
CID 114288517
3-(3-propoxypropylamino)pyridine-4-carbothioamide
CID 82940958
3-(3-methylsulfinylbutylamino)pyridine-4-carbothioamide
CID 113490495
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridine-4-carbothioamide
CID 113269668
3-[2-(2,4-dichlorophenyl)ethylamino]pyridine-4-carbothioamide
CID 114288128
3-(4-imidazol-1-ylbutylamino)pyridine-4-carbothioamide
CID 114288427

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(2-fluoroethylamino)pyridine-4-carbothioamide (CID 130504428) is 3-(2-fluoroethylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(2-fluoroethylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(2-fluoroethylamino)pyridine-4-carbothioamide is NC(=S)c1ccncc1NCCF.
What is the InChIKey of 3-(2-fluoroethylamino)pyridine-4-carbothioamide?
The InChIKey is UYLAMAYLEDOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c9-2-4-12-7-5-11-3-1-6(7)8(10)13/h1,3,5,12H,2,4H2,(H2,10,13).
What are the key properties of 3-(2-fluoroethylamino)pyridine-4-carbothioamide?
3-(2-fluoroethylamino)pyridine-4-carbothioamide has a molecular weight of 199.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 130504428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).