6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide

C15H17N3S — CID 64588022

IUPAC6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
SMILESCCc1cccc(C)c1Nc1cccc(C(N)=S)n1
InChIInChI=1S/C15H17N3S/c1-3-11-7-4-6-10(2)14(11)18-13-9-5-8-12(17-13)15(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyXIZIMWJAPFJRQM-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.33
Rot. Bonds4

About 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide

6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide (PubChem CID 64588022) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
PubChem CID64588022
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide
SMILESCCc1cccc(C)c1Nc1cccc(C(N)=S)n1
InChIInChI=1S/C15H17N3S/c1-3-11-7-4-6-10(2)14(11)18-13-9-5-8-12(17-13)15(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyXIZIMWJAPFJRQM-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
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-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(3-ethylanilino)pyridine-2-carbothioamide
CID 64588428
2-(2,6-diethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767051
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025
6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxylic acid
CID 82306131
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934360
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
6-(4-bromo-2-methylanilino)pyridine-2-carbothioamide
CID 64588029
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
6-ethylpyridine-2-carbothioamide
CID 119094579
2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
CID 81296395

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide?
The IUPAC name of 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide (CID 64588022) is 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide is CCc1cccc(C)c1Nc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide?
The InChIKey is XIZIMWJAPFJRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-11-7-4-6-10(2)14(11)18-13-9-5-8-12(17-13)15(16)19/h4-9H,3H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide?
6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide has a molecular weight of 271.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-6-methylanilino)pyridine-2-carbothioamide is sourced from PubChem (CID 64588022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).