5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide

C14H21N3S — CID 115488665

IUPAC5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
SMILESCCC1CCCC(Nc2ccc(C(N)=S)nc2)C1
InChIInChI=1S/C14H21N3S/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(14(15)18)16-9-12/h6-7,9-11,17H,2-5,8H2,1H3,(H2,15,18)
InChIKeyDNEDKKDQMZDYNN-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.10
Rot. Bonds4

About 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide

5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide (PubChem CID 115488665) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
PubChem CID115488665
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide
SMILESCCC1CCCC(Nc2ccc(C(N)=S)nc2)C1
InChIInChI=1S/C14H21N3S/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(14(15)18)16-9-12/h6-7,9-11,17H,2-5,8H2,1H3,(H2,15,18)
InChIKeyDNEDKKDQMZDYNN-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.10
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

5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-2-carbothioamide
CID 115488674
5-[(2-methylcyclopentyl)amino]pyridine-2-carbothioamide
CID 115488600
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
3-[(3-ethylcyclohexyl)amino]pyrazine-2-carbothioamide
CID 64749813
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
2-chloro-6-[(3-ethylcyclohexyl)amino]benzenecarbothioamide
CID 64750192
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide (CID 115488665) is 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide is CCC1CCCC(Nc2ccc(C(N)=S)nc2)C1.
What is the InChIKey of 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide?
The InChIKey is DNEDKKDQMZDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-10-4-3-5-11(8-10)17-12-6-7-13(14(15)18)16-9-12/h6-7,9-11,17H,2-5,8H2,1H3,(H2,15,18).
What are the key properties of 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide?
5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylcyclohexyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 115488665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).