1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

C19H18N2OS — CID 726541

IUPAC1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2
InChIInChI=1S/C19H18N2OS/c23-19-16-10-4-5-11-17(16)21(13-15-9-6-12-22-15)18(20-19)14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyIDYZHGZAMIQYFL-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.80
Rot. Bonds3

About 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione

1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 726541) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID726541
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESS=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2
InChIInChI=1S/C19H18N2OS/c23-19-16-10-4-5-11-17(16)21(13-15-9-6-12-22-15)18(20-19)14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyIDYZHGZAMIQYFL-UHFFFAOYSA-N
XLogP4.80
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(furan-2-ylmethyl)-2-phenyl-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 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 726541) is 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is S=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is IDYZHGZAMIQYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c23-19-16-10-4-5-11-17(16)21(13-15-9-6-12-22-15)18(20-19)14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,10-11,13H2.
What are the key properties of 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 322.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 726541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).