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

C21H20N2S — CID 4569077

IUPAC1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCc1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1
InChIInChI=1S/C21H20N2S/c1-15-11-13-17(14-12-15)23-19-10-6-5-9-18(19)21(24)22-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyGEMREHKNLAJARN-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.46
Rot. Bonds2

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

1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 4569077) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID4569077
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCc1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1
InChIInChI=1S/C21H20N2S/c1-15-11-13-17(14-12-15)23-19-10-6-5-9-18(19)21(24)22-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3
InChIKeyGEMREHKNLAJARN-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)-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

Related Compounds

2-(4-bromophenyl)-1-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 19257155
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 18880303
1-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 19257162
1-[(2S)-butan-2-yl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 7428311
2-(4-nitrophenyl)-1-[4-(pyridin-4-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinazoline-4-thione
CID 2140170
2-phenyl-1-(3-phenylpropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 992621
2-phenyl-1-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 3983081
1-(1H-benzimidazol-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 2382016
9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663536
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 40618152
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
2-(3-methylphenyl)-1-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
CID 2974227

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 4569077) is 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is Cc1ccc(-n2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is GEMREHKNLAJARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-15-11-13-17(14-12-15)23-19-10-6-5-9-18(19)21(24)22-20(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione?
1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 332.47 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 4569077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).