4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione

C14H12N2OS — CID 165355491

IUPAC4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione
SMILESOC1c2ccccc2NC(=S)N1c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9,13,17H,(H,15,18)
InChIKeyTUOMQHFPWYNFJK-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds1

About 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione

4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione (PubChem CID 165355491) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione
PubChem CID165355491
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione
SMILESOC1c2ccccc2NC(=S)N1c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9,13,17H,(H,15,18)
InChIKeyTUOMQHFPWYNFJK-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione?
The IUPAC name of 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione (CID 165355491) is 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione.
What is the SMILES notation for 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione?
The canonical SMILES for 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione is OC1c2ccccc2NC(=S)N1c1ccccc1.
What is the InChIKey of 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione?
The InChIKey is TUOMQHFPWYNFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9,13,17H,(H,15,18).
What are the key properties of 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione?
4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione has a molecular weight of 256.33 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-1,4-dihydroquinazoline-2-thione is sourced from PubChem (CID 165355491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).