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

C16H24N2OS — CID 106477248

IUPAC2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCOC1(c2nc(=S)c3c([nH]2)CCCC3)CCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-19-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(20)18-15/h2-11H2,1H3,(H,17,18,20)
InChIKeyKDRRDEJZIKANDB-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.21
Rot. Bonds3

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

2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477248) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477248
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCOC1(c2nc(=S)c3c([nH]2)CCCC3)CCCCC1
InChIInChI=1S/C16H24N2OS/c1-2-19-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(20)18-15/h2-11H2,1H3,(H,17,18,20)
InChIKeyKDRRDEJZIKANDB-UHFFFAOYSA-N
XLogP4.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxycyclohexyl)-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

2-(1-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-[cyclohexyl(ethoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475103
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475142
2-(1-ethoxy-3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475144
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475221
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475402
2-(1-ethoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475474
2-(1-ethoxy-4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475475
6-tert-butyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106475849

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477248) is 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCOC1(c2nc(=S)c3c([nH]2)CCCC3)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is KDRRDEJZIKANDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-19-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(20)18-15/h2-11H2,1H3,(H,17,18,20).
What are the key properties of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 292.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).