5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

C14H12ClN3OS — CID 63723402

IUPAC5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H12ClN3OS/c1-8-6-10(15)3-5-11(8)18-14(19)12-4-2-9(7-17-12)13(16)20/h2-7H,1H3,(H2,16,20)(H,18,19)
InChIKeyXROGPQJBHJPSSY-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.93
Rot. Bonds3

About 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide

5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 63723402) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID63723402
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H12ClN3OS/c1-8-6-10(15)3-5-11(8)18-14(19)12-4-2-9(7-17-12)13(16)20/h2-7H,1H3,(H2,16,20)(H,18,19)
InChIKeyXROGPQJBHJPSSY-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.93
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

6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
N-(3-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 104779033
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(2-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724601
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-(2,4-dimethylphenyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005087
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide (CID 63723402) is 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is XROGPQJBHJPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-6-10(15)3-5-11(8)18-14(19)12-4-2-9(7-17-12)13(16)20/h2-7H,1H3,(H2,16,20)(H,18,19).
What are the key properties of 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 305.79 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 63723402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).