2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C15H22N2S — CID 106477084

IUPAC2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C15H22N2S/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyHYLFOBZIUXPTKQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.31
Rot. Bonds1

About 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477084) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477084
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C15H22N2S/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyHYLFOBZIUXPTKQ-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.31
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

quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
3,7,8-Trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
CID 90961072
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152
6-propyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475237
2-(4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475306
2-(4-ethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475310

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477084) is 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is HYLFOBZIUXPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 262.42 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).