N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide

C13H11ClN2S — CID 134122710

IUPACN-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide
SMILESCc1ccnc(C(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2S/c1-9-6-7-15-12(8-9)13(17)16-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17)
InChIKeyDRQCGUCKBCBZRS-UHFFFAOYSA-N
MW262.77 g/mol
LogP3.83
Rot. Bonds2

About N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide

N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide (PubChem CID 134122710) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide
PubChem CID134122710
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC NameN-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide
SMILESCc1ccnc(C(=S)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H11ClN2S/c1-9-6-7-15-12(8-9)13(17)16-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17)
InChIKeyDRQCGUCKBCBZRS-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(2,4-dimethylphenyl)pyridine-2-carbothioamide
CID 802201
N-(2-bromo-4-methylphenyl)pyridine-2-carbothioamide
CID 802864
1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
N-(2-chlorophenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224329
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
1-(2-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)-2-methylpropyl]thiourea
CID 100746421
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478
N-(2-chlorophenyl)-1,3-benzothiazole-2-carbothioamide
CID 886218
N-(2-chlorophenyl)-2-(4-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 17360966

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide?
The IUPAC name of N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide (CID 134122710) is N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide?
The canonical SMILES for N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide is Cc1ccnc(C(=S)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide?
The InChIKey is DRQCGUCKBCBZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-9-6-7-15-12(8-9)13(17)16-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide?
N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide has a molecular weight of 262.77 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-methylpyridine-2-carbothioamide is sourced from PubChem (CID 134122710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).