2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide

C15H16ClN3S — CID 114767308

IUPAC2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3S/c1-10-8-12(15(17)20)9-14(19-10)18-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHVXNZKWUFPHSOO-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide

2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767308) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
PubChem CID114767308
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3S/c1-10-8-12(15(17)20)9-14(19-10)18-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19)
InChIKeyHVXNZKWUFPHSOO-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.33
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

2-methyl-6-[(4-propan-2-ylphenyl)methylamino]pyridine-4-carbothioamide
CID 114767533
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
2-methyl-6-(3-phenylbutylamino)pyridine-4-carbothioamide
CID 114767627
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008
2-(3-chloro-4-methylanilino)-6-methylpyridine-4-carbothioamide
CID 114767034
2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbothioamide
CID 24704732
2-[(3-fluorophenyl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767192
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-chloro-4-[2-(4-chlorophenyl)ethylamino]benzenecarbothioamide
CID 62947787
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
N-[2-(4-chlorophenyl)ethyl]-2-(1-iodoethoxy)-6-methylpyrimidin-4-amine
CID 143652236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide (CID 114767308) is 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide?
The InChIKey is HVXNZKWUFPHSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-10-8-12(15(17)20)9-14(19-10)18-7-6-11-2-4-13(16)5-3-11/h2-5,8-9H,6-7H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide?
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide has a molecular weight of 305.83 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).