N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide

C14H13N3OS — CID 62341176

IUPACN-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H13N3OS/c1-9-5-4-8-16-12(9)14(18)17-11-7-3-2-6-10(11)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18)
InChIKeyAMEZEMDBMRXIKV-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.28
Rot. Bonds3

About N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide

N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide (PubChem CID 62341176) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
PubChem CID62341176
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C14H13N3OS/c1-9-5-4-8-16-12(9)14(18)17-11-7-3-2-6-10(11)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18)
InChIKeyAMEZEMDBMRXIKV-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614
2-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 63306544
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide (CID 62341176) is N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide?
The InChIKey is AMEZEMDBMRXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-5-4-8-16-12(9)14(18)17-11-7-3-2-6-10(11)13(15)19/h2-8H,1H3,(H2,15,19)(H,17,18).
What are the key properties of N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide?
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 62341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).