1-ethyl-3-hydroxy-2H-quinazoline-4-thione

C10H12N2OS — CID 13402123

IUPAC1-ethyl-3-hydroxy-2H-quinazoline-4-thione
SMILESCCN1CN(O)C(=S)c2ccccc21
InChIInChI=1S/C10H12N2OS/c1-2-11-7-12(13)10(14)8-5-3-4-6-9(8)11/h3-6,13H,2,7H2,1H3
InChIKeyNSZXEKNWJIWAQG-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.85
Rot. Bonds1

About 1-ethyl-3-hydroxy-2H-quinazoline-4-thione

1-ethyl-3-hydroxy-2H-quinazoline-4-thione (PubChem CID 13402123) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-2H-quinazoline-4-thione.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-2H-quinazoline-4-thione
PubChem CID13402123
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-ethyl-3-hydroxy-2H-quinazoline-4-thione
SMILESCCN1CN(O)C(=S)c2ccccc21
InChIInChI=1S/C10H12N2OS/c1-2-11-7-12(13)10(14)8-5-3-4-6-9(8)11/h3-6,13H,2,7H2,1H3
InChIKeyNSZXEKNWJIWAQG-UHFFFAOYSA-N
XLogP1.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-1-ethyl-2H-quinazoline-4-thione
CID 13402205
1-ethyl-2H-indol-3-one
CID 22323565
CID 174524249
CID 174524249
1-(4-chlorobutyl)-3-ethyl-2H-benzimidazole
CID 174253153
1-ethyl-3-[(4-phenylphenyl)methyl]-2H-benzimidazole
CID 174457366
(3R)-1-ethyl-2,4-dioxoquinoline-3-carboxylate
CID 7020698
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
azane;3-ethyl-2H-1,3-benzothiazole;sulfuric acid
CID 173262176
3-ethyl-2H-1,3-benzoxazole
CID 19969378
4-[4-[2-(aminomethyl)phenyl]-2-methylbutyl]-1-ethyl-2,3-dihydro-1,4-benzodiazepin-5-one
CID 170259552
5,8-diethyl-6,6a,7,12b-tetrahydroquinolino[3,4-c]quinoline
CID 3714265
5-hydroxy-6H-phenanthridine
CID 89177701

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-2H-quinazoline-4-thione?
The IUPAC name of 1-ethyl-3-hydroxy-2H-quinazoline-4-thione (CID 13402123) is 1-ethyl-3-hydroxy-2H-quinazoline-4-thione.
What is the SMILES notation for 1-ethyl-3-hydroxy-2H-quinazoline-4-thione?
The canonical SMILES for 1-ethyl-3-hydroxy-2H-quinazoline-4-thione is CCN1CN(O)C(=S)c2ccccc21.
What is the InChIKey of 1-ethyl-3-hydroxy-2H-quinazoline-4-thione?
The InChIKey is NSZXEKNWJIWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-11-7-12(13)10(14)8-5-3-4-6-9(8)11/h3-6,13H,2,7H2,1H3.
What are the key properties of 1-ethyl-3-hydroxy-2H-quinazoline-4-thione?
1-ethyl-3-hydroxy-2H-quinazoline-4-thione has a molecular weight of 208.29 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-2H-quinazoline-4-thione is sourced from PubChem (CID 13402123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).