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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Related Compounds

(2-Hydroxymethyl-phenyl)-thiourea
CID 46889267
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
CID 10977238
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CID 2873543
1-Piperidinecarboxanilide, 4-hydroxy-4-phenyl-thio-
CID 3050119
1-Piperidinecarbothioamide, 4-hydroxy-N-(2-methylphenyl)-4-phenyl-
CID 3050126
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-methyl-3-phenylthiourea
CID 904627
4-(3-hydroxy-3-phenylpropyl)-N-phenylpiperazine-1-carbothioamide
CID 122188712
1,2,3,4-Tetrahydroquinolin-4-ol
CID 287390
[2-({[Benzylamino]thioxomethyl}amino)phenyl]methan-1-ol
CID 2462690
4-hydroxy-3,4-dihydro-1H-quinazoline-2-thione
CID 22758102
1-[1-[3-[2-(4-Fluorophenyl)ethoxy]propyl]piperidin-4-yl]-3-[2-(hydroxymethyl)-4-methylphenyl]-1-methylthiourea
CID 18623189
N-(1-benzyl-4-piperidinyl)-2-hydroxymethyl-3-fluoroaniline
CID 19031041

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).