5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

C15H14FN3OS — CID 63724231

IUPAC5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H14FN3OS/c16-12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(9-19-13)14(17)21/h1-6,9H,7-8H2,(H2,17,21)(H,18,20)
InChIKeyRJIGEEJEARRCIT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.83
Rot. Bonds5

About 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 63724231) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID63724231
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C15H14FN3OS/c16-12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(9-19-13)14(17)21/h1-6,9H,7-8H2,(H2,17,21)(H,18,20)
InChIKeyRJIGEEJEARRCIT-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.83
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

5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-carbamothioyl-N-[(3,4-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63749197
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
5-carbamothioyl-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
CID 106292859
5-carbamothioyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 63828156
5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106035388
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 63724231) is 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is RJIGEEJEARRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(9-19-13)14(17)21/h1-6,9H,7-8H2,(H2,17,21)(H,18,20).
What are the key properties of 5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.83, 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-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 63724231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).