4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline

C16H18N2S — CID 5151557

IUPAC4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C16H18N2S/c1-2-19-16-13-10-6-7-11-14(13)17-15(18-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyUJOFMOBGBIMVIK-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.13
Rot. Bonds3

About 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline

4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 5151557) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline
PubChem CID5151557
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline
SMILESCCSc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C16H18N2S/c1-2-19-16-13-10-6-7-11-14(13)17-15(18-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyUJOFMOBGBIMVIK-UHFFFAOYSA-N
XLogP4.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline 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 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline (CID 5151557) is 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline is CCSc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is UJOFMOBGBIMVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-19-16-13-10-6-7-11-14(13)17-15(18-16)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline?
4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 270.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-phenyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 5151557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).