N-cyclohexylpyridine-4-carbothioamide

C12H16N2S — CID 121009583

IUPACN-cyclohexylpyridine-4-carbothioamide
SMILESS=C(NC1CCCCC1)c1ccncc1
InChIInChI=1S/C12H16N2S/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,14,15)
InChIKeyPQXFQBLQQCIHGM-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.68
Rot. Bonds2

About N-cyclohexylpyridine-4-carbothioamide

N-cyclohexylpyridine-4-carbothioamide (PubChem CID 121009583) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-cyclohexylpyridine-4-carbothioamide.

Molecular Properties

Compound NameN-cyclohexylpyridine-4-carbothioamide
PubChem CID121009583
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-cyclohexylpyridine-4-carbothioamide
SMILESS=C(NC1CCCCC1)c1ccncc1
InChIInChI=1S/C12H16N2S/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,14,15)
InChIKeyPQXFQBLQQCIHGM-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-hydroxybenzenecarbothioamide
CID 1297275
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclopentylpyridine-4-carboxamide
CID 4212000
1-cyclopentyl-3-pyridin-4-ylthiourea
CID 19655611
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
1-cyclohexyl-3-[(2-pyridin-4-ylsulfanylacetyl)amino]thiourea
CID 2560407
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
N-cyclopropyl-4-propan-2-ylbenzenecarbothioamide
CID 121340219
N-cycloheptyl-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717053

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpyridine-4-carbothioamide?
The IUPAC name of N-cyclohexylpyridine-4-carbothioamide (CID 121009583) is N-cyclohexylpyridine-4-carbothioamide.
What is the SMILES notation for N-cyclohexylpyridine-4-carbothioamide?
The canonical SMILES for N-cyclohexylpyridine-4-carbothioamide is S=C(NC1CCCCC1)c1ccncc1.
What is the InChIKey of N-cyclohexylpyridine-4-carbothioamide?
The InChIKey is PQXFQBLQQCIHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,14,15).
What are the key properties of N-cyclohexylpyridine-4-carbothioamide?
N-cyclohexylpyridine-4-carbothioamide has a molecular weight of 220.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpyridine-4-carbothioamide is sourced from PubChem (CID 121009583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).