5-(2-cyclohexylethylamino)pyridine-2-carbothioamide

C14H21N3S — CID 113320813

IUPAC5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3S/c15-14(18)13-7-6-12(10-17-13)16-9-8-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2,(H2,15,18)
InChIKeyQZJAYUISILRKBM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.10
Rot. Bonds5

About 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide

5-(2-cyclohexylethylamino)pyridine-2-carbothioamide (PubChem CID 113320813) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
PubChem CID113320813
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
SMILESNC(=S)c1ccc(NCCC2CCCCC2)cn1
InChIInChI=1S/C14H21N3S/c15-14(18)13-7-6-12(10-17-13)16-9-8-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2,(H2,15,18)
InChIKeyQZJAYUISILRKBM-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
5-N-(2-cyclohexylethyl)pyridine-2,5-diamine
CID 60919964
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
CID 113320854
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
5-[(2-methylcyclohexyl)methylamino]pyridine-2-carbothioamide
CID 115488450
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546
5-(oxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 113320878
5-(cycloheptylmethoxy)pyridine-2-carbothioamide
CID 114248397
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
5-(3-cyclopentylpropylamino)pyrazine-2-carbothioamide
CID 106010221

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide?
The IUPAC name of 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide (CID 113320813) is 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide?
The canonical SMILES for 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide is NC(=S)c1ccc(NCCC2CCCCC2)cn1.
What is the InChIKey of 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide?
The InChIKey is QZJAYUISILRKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c15-14(18)13-7-6-12(10-17-13)16-9-8-11-4-2-1-3-5-11/h6-7,10-11,16H,1-5,8-9H2,(H2,15,18).
What are the key properties of 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide?
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide has a molecular weight of 263.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 113320813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).