3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine

C9H6N2OS2 — CID 80745588

IUPAC3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3sccc3s2)no1
InChIInChI=1S/C9H6N2OS2/c10-9-3-5(11-12-9)7-4-8-6(14-7)1-2-13-8/h1-4H,10H2
InChIKeyMHEIRDNBRNHIMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.20
Rot. Bonds1

About 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine

3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine (PubChem CID 80745588) has the molecular formula C9H6N2OS2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
PubChem CID80745588
Molecular FormulaC9H6N2OS2
Molecular Weight222.29 g/mol
Exact Mass221.99
IUPAC Name3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3sccc3s2)no1
InChIInChI=1S/C9H6N2OS2/c10-9-3-5(11-12-9)7-4-8-6(14-7)1-2-13-8/h1-4H,10H2
InChIKeyMHEIRDNBRNHIMV-UHFFFAOYSA-N
XLogP3.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-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 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine (CID 80745588) is 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine is Nc1cc(-c2cc3sccc3s2)no1.
What is the InChIKey of 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine?
The InChIKey is MHEIRDNBRNHIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS2/c10-9-3-5(11-12-9)7-4-8-6(14-7)1-2-13-8/h1-4H,10H2.
What are the key properties of 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine?
3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine has a molecular weight of 222.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80745588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).