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

C17H26N2S — CID 106477165

IUPAC2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC(C)C1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C17H26N2S/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyOSNLDYWPALSIBF-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.95
Rot. Bonds2

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

2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477165) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477165
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC(C)C1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C17H26N2S/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20)
InChIKeyOSNLDYWPALSIBF-UHFFFAOYSA-N
XLogP4.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-(4-tert-butylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475200
6-propyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475237
2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475279
2-(4-ethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475310
6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475386
2-(4-tert-butylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475453
6-propan-2-yl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475491
6-tert-butyl-2-(4-ethylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475813
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475814

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477165) is 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CC(C)C1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1.
What is the InChIKey of 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is OSNLDYWPALSIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-11(2)12-7-9-13(10-8-12)16-18-15-6-4-3-5-14(15)17(20)19-16/h11-13H,3-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 290.48 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).