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

C14H22N2OS — CID 106477246

IUPAC2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCC(OCC)c1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C14H22N2OS/c1-3-7-12(17-4-2)13-15-11-9-6-5-8-10(11)14(18)16-13/h12H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyXQUDKSRREFYPPZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.90
Rot. Bonds5

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

2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477246) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477246
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCC(OCC)c1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C14H22N2OS/c1-3-7-12(17-4-2)13-15-11-9-6-5-8-10(11)14(18)16-13/h12H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyXQUDKSRREFYPPZ-UHFFFAOYSA-N
XLogP3.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxybutyl)-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-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477179
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477214
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(1-ethoxybutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475472
6-tert-butyl-2-(1-methoxybutyl)-1H-pyrimidine-4-thione
CID 106475901
6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione
CID 106475978
2-(1-ethoxybutyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476222
2-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680
2-(1-ethoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476747
5-ethyl-6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476858
2-[cyclohexyl(ethoxy)methyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476883

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477246) is 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCCC(OCC)c1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is XQUDKSRREFYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-7-12(17-4-2)13-15-11-9-6-5-8-10(11)14(18)16-13/h12H,3-9H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).