8-amino-3,4-dihydro-1H-quinazoline-2-thione

C8H9N3S — CID 84767958

IUPAC8-amino-3,4-dihydro-1H-quinazoline-2-thione
SMILESNc1cccc2c1NC(=S)NC2
InChIInChI=1S/C8H9N3S/c9-6-3-1-2-5-4-10-8(12)11-7(5)6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyCDBUFXSFFAXJBC-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.07
Rot. Bonds

About 8-amino-3,4-dihydro-1H-quinazoline-2-thione

8-amino-3,4-dihydro-1H-quinazoline-2-thione (PubChem CID 84767958) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 8-amino-3,4-dihydro-1H-quinazoline-2-thione.

Molecular Properties

Compound Name8-amino-3,4-dihydro-1H-quinazoline-2-thione
PubChem CID84767958
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name8-amino-3,4-dihydro-1H-quinazoline-2-thione
SMILESNc1cccc2c1NC(=S)NC2
InChIInChI=1S/C8H9N3S/c9-6-3-1-2-5-4-10-8(12)11-7(5)6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyCDBUFXSFFAXJBC-UHFFFAOYSA-N
XLogP1.07
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-amino-3,4-dihydro-1H-quinazoline-2-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

1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
CID 71711078
1,2-dihydrobenzo[cd]indol-6-amine
CID 117275548
2-methyl-1,3-dihydroindazol-7-amine
CID 123500749
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
CID 125451382
8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
CID 143550005
8-amino-3-(2-hydroxyethyl)-1,4-dihydroquinazolin-2-one
CID 68705938
8-amino-2,4-dihydro-1H-isoquinolin-3-one
CID 124925857
9-amino-4,5-dihydro-1,4-benzoxazepin-3-one;ethane
CID 145093037
2-sulfanylidene-3,4-dihydro-1H-quinazoline-7-carboxamide
CID 90749748
6-[bromo(phenyl)methyl]-3,4-dihydro-1H-quinazoline-2-thione
CID 54546629
7-methoxy-3,4-dihydro-1H-quinazoline-2-thione
CID 84773181
5-(cyclopropylmethyl)-6,11-dihydrobenzo[b][1,4]benzodiazepin-10-amine
CID 10084226

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,4-dihydro-1H-quinazoline-2-thione?
The IUPAC name of 8-amino-3,4-dihydro-1H-quinazoline-2-thione (CID 84767958) is 8-amino-3,4-dihydro-1H-quinazoline-2-thione.
What is the SMILES notation for 8-amino-3,4-dihydro-1H-quinazoline-2-thione?
The canonical SMILES for 8-amino-3,4-dihydro-1H-quinazoline-2-thione is Nc1cccc2c1NC(=S)NC2.
What is the InChIKey of 8-amino-3,4-dihydro-1H-quinazoline-2-thione?
The InChIKey is CDBUFXSFFAXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-6-3-1-2-5-4-10-8(12)11-7(5)6/h1-3H,4,9H2,(H2,10,11,12).
What are the key properties of 8-amino-3,4-dihydro-1H-quinazoline-2-thione?
8-amino-3,4-dihydro-1H-quinazoline-2-thione has a molecular weight of 179.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,4-dihydro-1H-quinazoline-2-thione is sourced from PubChem (CID 84767958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).