N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide

C14H13N3OS — CID 2189476

IUPACN-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1cccc(NC(=S)NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-6-5-9-12(15-10)16-14(19)17-13(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,17,18,19)
InChIKeyVWKPOGQHIDVZER-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.52
Rot. Bonds2

About N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide

N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 2189476) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
PubChem CID2189476
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCc1cccc(NC(=S)NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-6-5-9-12(15-10)16-14(19)17-13(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,17,18,19)
InChIKeyVWKPOGQHIDVZER-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.52
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-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide (CID 2189476) is N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide is Cc1cccc(NC(=S)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is VWKPOGQHIDVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-6-5-9-12(15-10)16-14(19)17-13(18)11-7-3-2-4-8-11/h2-9H,1H3,(H2,15,16,17,18,19).
What are the key properties of N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 271.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 2189476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).