2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine

C12H11N3S — CID 10922301

IUPAC2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2cccs2)Nc2ccccc21
InChIInChI=1S/C12H11N3S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7,12,14H,(H2,13,15)
InChIKeyYXOPNVUMAUDDSS-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.58
Rot. Bonds1

About 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine

2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine (PubChem CID 10922301) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
PubChem CID10922301
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2cccs2)Nc2ccccc21
InChIInChI=1S/C12H11N3S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7,12,14H,(H2,13,15)
InChIKeyYXOPNVUMAUDDSS-UHFFFAOYSA-N
XLogP2.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-thiophen-2-yl-1,2-dihydroquinazolin-4-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 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine (CID 10922301) is 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine is NC1=NC(c2cccs2)Nc2ccccc21.
What is the InChIKey of 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The InChIKey is YXOPNVUMAUDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-11-8-4-1-2-5-9(8)14-12(15-11)10-6-3-7-16-10/h1-7,12,14H,(H2,13,15).
What are the key properties of 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine has a molecular weight of 229.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 10922301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).