3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide

C9H9F4N3S — CID 106292919

IUPAC3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4N3S/c10-8(11)9(12,13)4-16-6-3-15-2-1-5(6)7(14)17/h1-3,8,16H,4H2,(H2,14,17)
InChIKeyFEYQDBPCHDIAGC-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.03
Rot. Bonds5

About 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide

3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide (PubChem CID 106292919) has the molecular formula C9H9F4N3S and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide
PubChem CID106292919
Molecular FormulaC9H9F4N3S
Molecular Weight267.25 g/mol
Exact Mass267.05
IUPAC Name3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide
SMILESNC(=S)c1ccncc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H9F4N3S/c10-8(11)9(12,13)4-16-6-3-15-2-1-5(6)7(14)17/h1-3,8,16H,4H2,(H2,14,17)
InChIKeyFEYQDBPCHDIAGC-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoroethylamino)pyridine-4-carbothioamide
CID 130504428
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbothioamide
CID 114942551
2-(2,2,3,3-tetrafluoropropylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 106292938
3-(tert-butylamino)pyridine-4-carbothioamide
CID 114288000
3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295553
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 106302999
3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-4-carbothioamide
CID 114159717
4-(2,2,3,3-tetrafluoropropylamino)quinoline-3-carbothioamide
CID 106292946
3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carbothioamide
CID 113269660
3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbothioamide
CID 114288483
3-(butan-2-ylamino)pyridine-4-carbothioamide
CID 114288006

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide (CID 106292919) is 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide is NC(=S)c1ccncc1NCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide?
The InChIKey is FEYQDBPCHDIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N3S/c10-8(11)9(12,13)4-16-6-3-15-2-1-5(6)7(14)17/h1-3,8,16H,4H2,(H2,14,17).
What are the key properties of 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide?
3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide has a molecular weight of 267.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 106292919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).