2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide

C13H8Cl3N3OS — CID 2774104

IUPAC2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H8Cl3N3OS/c14-8-3-1-2-4-9(8)17-13(21)19-12(20)7-5-10(15)18-11(16)6-7/h1-6H,(H2,17,19,20,21)
InChIKeyJHZYJBLIQKIJPQ-UHFFFAOYSA-N
MW360.65 g/mol
LogP4.17
Rot. Bonds2

About 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide

2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide (PubChem CID 2774104) has the molecular formula C13H8Cl3N3OS and a molecular weight of 360.65 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
PubChem CID2774104
Molecular FormulaC13H8Cl3N3OS
Molecular Weight360.65 g/mol
Exact Mass358.95
IUPAC Name2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H8Cl3N3OS/c14-8-3-1-2-4-9(8)17-13(21)19-12(20)7-5-10(15)18-11(16)6-7/h1-6H,(H2,17,19,20,21)
InChIKeyJHZYJBLIQKIJPQ-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 54.17
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'}

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Related Compounds

3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17133732
N-[(2-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 932726
N-[(3-chloro-2-methylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918712
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17100502
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782740
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
[2-[(2-chlorophenyl)carbamothioylcarbamoyl]phenyl] acetate
CID 71388857
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide (CID 2774104) is 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide is O=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide?
The InChIKey is JHZYJBLIQKIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3OS/c14-8-3-1-2-4-9(8)17-13(21)19-12(20)7-5-10(15)18-11(16)6-7/h1-6H,(H2,17,19,20,21).
What are the key properties of 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide has a molecular weight of 360.65 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-chlorophenyl)carbamothioyl]pyridine-4-carboxamide is sourced from PubChem (CID 2774104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).