5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

C13H9Cl2N3OS — CID 65469584

IUPAC5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H9Cl2N3OS/c14-8-2-1-3-9(15)11(8)18-13(19)10-5-4-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19)
InChIKeyQWPWLSWGRCXCMM-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.27
Rot. Bonds3

About 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 65469584) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
PubChem CID65469584
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H9Cl2N3OS/c14-8-2-1-3-9(15)11(8)18-13(19)10-5-4-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19)
InChIKeyQWPWLSWGRCXCMM-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,6-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725320
5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
N-(4-bromophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724746
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114388033
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (CID 65469584) is 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is QWPWLSWGRCXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-8-2-1-3-9(15)11(8)18-13(19)10-5-4-7(6-17-10)12(16)20/h1-6H,(H2,16,20)(H,18,19).
What are the key properties of 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 326.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 65469584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).