N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide

C13H10ClN3OS — CID 139076926

IUPACN-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H10ClN3OS/c14-11-10(7-4-8-15-11)16-13(19)17-12(18)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
InChIKeyIRJOUZUNDGNALM-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.86
Rot. Bonds2

About N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide

N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide (PubChem CID 139076926) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
PubChem CID139076926
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC NameN-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccnc1Cl)c1ccccc1
InChIInChI=1S/C13H10ClN3OS/c14-11-10(7-4-8-15-11)16-13(19)17-12(18)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
InChIKeyIRJOUZUNDGNALM-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide 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

4-tert-butyl-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 768730
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
3-chloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 17313677
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
CID 163254012
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamothioyl]benzamide
CID 59128801
N-[[4,5-dichloro-2-(cyclobutylamino)phenyl]carbamothioyl]benzamide
CID 101197857
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-(pyrimidin-2-ylcarbamothioyl)pyridine-3-carboxamide
CID 53349684
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
N-[(2-chloro-3-pyridinyl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide
CID 17018388

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide (CID 139076926) is N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cccnc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The InChIKey is IRJOUZUNDGNALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-11-10(7-4-8-15-11)16-13(19)17-12(18)9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19).
What are the key properties of N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide has a molecular weight of 291.76 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 139076926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).