2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide

C16H19N3S — CID 63513755

IUPAC2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
SMILESCCc1cccc(C)c1Nc1nc(C)ccc1C(N)=S
InChIInChI=1S/C16H19N3S/c1-4-12-7-5-6-10(2)14(12)19-16-13(15(17)20)9-8-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyKGCPZRPTZFGZRW-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.64
Rot. Bonds4

About 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide

2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide (PubChem CID 63513755) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
PubChem CID63513755
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
SMILESCCc1cccc(C)c1Nc1nc(C)ccc1C(N)=S
InChIInChI=1S/C16H19N3S/c1-4-12-7-5-6-10(2)14(12)19-16-13(15(17)20)9-8-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19)
InChIKeyKGCPZRPTZFGZRW-UHFFFAOYSA-N
XLogP3.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.64
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-(2,3-dimethylanilino)-6-methylpyridine-3-carbothioamide
CID 63519396
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934360
6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
CID 64588022
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025
2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
CID 81296395
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
CID 55224619
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
CID 102984823
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
6-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carbothioamide
CID 63515166
3-[(3-carbamothioyl-6-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 114167405

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide (CID 63513755) is 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide is CCc1cccc(C)c1Nc1nc(C)ccc1C(N)=S.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide?
The InChIKey is KGCPZRPTZFGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-12-7-5-6-10(2)14(12)19-16-13(15(17)20)9-8-11(3)18-16/h5-9H,4H2,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide?
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 63513755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).