5-carbamothioyl-N-phenylpyridine-2-carboxamide

C13H11N3OS — CID 63723576

IUPAC5-carbamothioyl-N-phenylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C13H11N3OS/c14-12(18)9-6-7-11(15-8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H2,14,18)(H,16,17)
InChIKeyVGDWUPKOCUPGGB-UHFFFAOYSA-N
MW257.32 g/mol
LogP1.97
Rot. Bonds3

About 5-carbamothioyl-N-phenylpyridine-2-carboxamide

5-carbamothioyl-N-phenylpyridine-2-carboxamide (PubChem CID 63723576) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-carbamothioyl-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-phenylpyridine-2-carboxamide
PubChem CID63723576
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-carbamothioyl-N-phenylpyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccccc2)nc1
InChIInChI=1S/C13H11N3OS/c14-12(18)9-6-7-11(15-8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H2,14,18)(H,16,17)
InChIKeyVGDWUPKOCUPGGB-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 51.97
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-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
N-(4-bromophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724746
5-(N'-hydroxycarbamimidoyl)-N-phenylpyridine-2-carboxamide
CID 77005403
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
N-(3-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 104779033
5-hydrazinyl-N-phenylpyridine-2-carboxamide
CID 104642260
5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114388033
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 107854445
N-(4-anilinophenyl)-4-carbamothioylbenzamide
CID 60559112
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-phenylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-phenylpyridine-2-carboxamide (CID 63723576) is 5-carbamothioyl-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-phenylpyridine-2-carboxamide is NC(=S)c1ccc(C(=O)Nc2ccccc2)nc1.
What is the InChIKey of 5-carbamothioyl-N-phenylpyridine-2-carboxamide?
The InChIKey is VGDWUPKOCUPGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-12(18)9-6-7-11(15-8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H2,14,18)(H,16,17).
What are the key properties of 5-carbamothioyl-N-phenylpyridine-2-carboxamide?
5-carbamothioyl-N-phenylpyridine-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 63723576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).