5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide

C10H9F4N3OS — CID 106292859

IUPAC5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCC(F)(F)C(F)F)nc1
InChIInChI=1S/C10H9F4N3OS/c11-9(12)10(13,14)4-17-8(18)6-2-1-5(3-16-6)7(15)19/h1-3,9H,4H2,(H2,15,19)(H,17,18)
InChIKeyOOMRSEBFWSKTSA-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.35
Rot. Bonds5

About 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide

5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide (PubChem CID 106292859) has the molecular formula C10H9F4N3OS and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
PubChem CID106292859
Molecular FormulaC10H9F4N3OS
Molecular Weight295.26 g/mol
Exact Mass295.04
IUPAC Name5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCC(F)(F)C(F)F)nc1
InChIInChI=1S/C10H9F4N3OS/c11-9(12)10(13,14)4-17-8(18)6-2-1-5(3-16-6)7(15)19/h1-3,9H,4H2,(H2,15,19)(H,17,18)
InChIKeyOOMRSEBFWSKTSA-UHFFFAOYSA-N
XLogP1.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide (CID 106292859) is 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NCC(F)(F)C(F)F)nc1.
What is the InChIKey of 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
The InChIKey is OOMRSEBFWSKTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3OS/c11-9(12)10(13,14)4-17-8(18)6-2-1-5(3-16-6)7(15)19/h1-3,9H,4H2,(H2,15,19)(H,17,18).
What are the key properties of 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide is sourced from PubChem (CID 106292859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).