methanethiol;quinazolin-7-amine

C9H11N3S — CID 156844903

IUPACmethanethiol;quinazolin-7-amine
SMILESCS.Nc1ccc2cncnc2c1
InChIInChI=1S/C8H7N3.CH4S/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-2/h1-5H,9H2;2H,1H3
InChIKeyFOBOESARRMGBMK-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.76
Rot. Bonds

About methanethiol;quinazolin-7-amine

methanethiol;quinazolin-7-amine (PubChem CID 156844903) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is methanethiol;quinazolin-7-amine.

Molecular Properties

Compound Namemethanethiol;quinazolin-7-amine
PubChem CID156844903
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Namemethanethiol;quinazolin-7-amine
SMILESCS.Nc1ccc2cncnc2c1
InChIInChI=1S/C8H7N3.CH4S/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-2/h1-5H,9H2;2H,1H3
InChIKeyFOBOESARRMGBMK-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methanethiol;quinazolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanethiol;quinazolin-7-amine?
The IUPAC name of methanethiol;quinazolin-7-amine (CID 156844903) is methanethiol;quinazolin-7-amine.
What is the SMILES notation for methanethiol;quinazolin-7-amine?
The canonical SMILES for methanethiol;quinazolin-7-amine is CS.Nc1ccc2cncnc2c1.
What is the InChIKey of methanethiol;quinazolin-7-amine?
The InChIKey is FOBOESARRMGBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.CH4S/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-2/h1-5H,9H2;2H,1H3.
What are the key properties of methanethiol;quinazolin-7-amine?
methanethiol;quinazolin-7-amine has a molecular weight of 193.28 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanethiol;quinazolin-7-amine is sourced from PubChem (CID 156844903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).