N-(2-pyridin-2-ylethylcarbamothioyl)benzamide

C15H15N3OS — CID 2826577

IUPACN-(2-pyridin-2-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c19-14(12-6-2-1-3-7-12)18-15(20)17-11-9-13-8-4-5-10-16-13/h1-8,10H,9,11H2,(H2,17,18,19,20)
InChIKeyOGVUIDNTSOFGOQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.93
Rot. Bonds4

About N-(2-pyridin-2-ylethylcarbamothioyl)benzamide

N-(2-pyridin-2-ylethylcarbamothioyl)benzamide (PubChem CID 2826577) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethylcarbamothioyl)benzamide
PubChem CID2826577
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-(2-pyridin-2-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3OS/c19-14(12-6-2-1-3-7-12)18-15(20)17-11-9-13-8-4-5-10-16-13/h1-8,10H,9,11H2,(H2,17,18,19,20)
InChIKeyOGVUIDNTSOFGOQ-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethylcarbamothioyl)benzamide?
The IUPAC name of N-(2-pyridin-2-ylethylcarbamothioyl)benzamide (CID 2826577) is N-(2-pyridin-2-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for N-(2-pyridin-2-ylethylcarbamothioyl)benzamide?
The canonical SMILES for N-(2-pyridin-2-ylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCc1ccccn1)c1ccccc1.
What is the InChIKey of N-(2-pyridin-2-ylethylcarbamothioyl)benzamide?
The InChIKey is OGVUIDNTSOFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-14(12-6-2-1-3-7-12)18-15(20)17-11-9-13-8-4-5-10-16-13/h1-8,10H,9,11H2,(H2,17,18,19,20).
What are the key properties of N-(2-pyridin-2-ylethylcarbamothioyl)benzamide?
N-(2-pyridin-2-ylethylcarbamothioyl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 2826577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).