2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione

C16H17FN2OS — CID 2281092

IUPAC2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESOCCn1c(-c2ccc(F)cc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C16H17FN2OS/c17-12-7-5-11(6-8-12)15-18-16(21)13-3-1-2-4-14(13)19(15)9-10-20/h5-8,20H,1-4,9-10H2
InChIKeyAVYSRRSZLSXTGL-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.29
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione

2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 2281092) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID2281092
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESOCCn1c(-c2ccc(F)cc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C16H17FN2OS/c17-12-7-5-11(6-8-12)15-18-16(21)13-3-1-2-4-14(13)19(15)9-10-20/h5-8,20H,1-4,9-10H2
InChIKeyAVYSRRSZLSXTGL-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione (CID 2281092) is 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione is OCCn1c(-c2ccc(F)cc2)nc(=S)c2c1CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is AVYSRRSZLSXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c17-12-7-5-11(6-8-12)15-18-16(21)13-3-1-2-4-14(13)19(15)9-10-20/h5-8,20H,1-4,9-10H2.
What are the key properties of 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione?
2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 304.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 2281092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).