2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide

C15H17N3S — CID 63519396

IUPAC2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H17N3S/c1-9-5-4-6-13(11(9)3)18-15-12(14(16)19)8-7-10(2)17-15/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyWKTSNIBNVZESOF-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide

2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide (PubChem CID 63519396) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
PubChem CID63519396
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc(C)c2C)n1
InChIInChI=1S/C15H17N3S/c1-9-5-4-6-13(11(9)3)18-15-12(14(16)19)8-7-10(2)17-15/h4-8H,1-3H3,(H2,16,19)(H,17,18)
InChIKeyWKTSNIBNVZESOF-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.38
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-(3-bromo-2-methylanilino)-6-methylpyridine-3-carbothioamide
CID 107635463
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
CID 55224619
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
2-(2,6-difluoro-3-methylanilino)-6-methylpyridine-3-carbothioamide
CID 82818032
2-(2-chloro-4-iodoanilino)-6-methylpyridine-3-carbothioamide
CID 107606748
2-(4-bromo-3-methylanilino)-6-methylpyridine-3-carbothioamide
CID 55225372
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
6-methyl-2-[4-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63519561
6-methyl-2-(quinolin-3-ylamino)pyridine-3-carbothioamide
CID 62783453
2-(3-fluoro-2-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 63519080
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
2-(3-chloro-2-methylanilino)-3-methylbenzenecarbothioamide
CID 107107691

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide (CID 63519396) is 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide is Cc1ccc(C(N)=S)c(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide?
The InChIKey is WKTSNIBNVZESOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-9-5-4-6-13(11(9)3)18-15-12(14(16)19)8-7-10(2)17-15/h4-8H,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide?
2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 63519396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).