2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide

C15H23N3S — CID 63518548

IUPAC2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide
SMILESCCC1CCC(Nc2nc(C)ccc2C(N)=S)CC1
InChIInChI=1S/C15H23N3S/c1-3-11-5-7-12(8-6-11)18-15-13(14(16)19)9-4-10(2)17-15/h4,9,11-12H,3,5-8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYJJKJMITMNDNEK-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.40
Rot. Bonds4

About 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide

2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide (PubChem CID 63518548) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide
PubChem CID63518548
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide
SMILESCCC1CCC(Nc2nc(C)ccc2C(N)=S)CC1
InChIInChI=1S/C15H23N3S/c1-3-11-5-7-12(8-6-11)18-15-13(14(16)19)9-4-10(2)17-15/h4,9,11-12H,3,5-8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyYJJKJMITMNDNEK-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide (CID 63518548) is 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide is CCC1CCC(Nc2nc(C)ccc2C(N)=S)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide?
The InChIKey is YJJKJMITMNDNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-11-5-7-12(8-6-11)18-15-13(14(16)19)9-4-10(2)17-15/h4,9,11-12H,3,5-8H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide?
2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide has a molecular weight of 277.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]-6-methylpyridine-3-carbothioamide is sourced from PubChem (CID 63518548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).