3,4-dithiophen-2-yl-1,2-oxazol-5-amine

C11H8N2OS2 — CID 62503080

IUPAC3,4-dithiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C11H8N2OS2/c12-11-9(7-3-1-5-15-7)10(13-14-11)8-4-2-6-16-8/h1-6H,12H2
InChIKeyKMGOJHWBEGJBKK-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.71
Rot. Bonds2

About 3,4-dithiophen-2-yl-1,2-oxazol-5-amine

3,4-dithiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62503080) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,4-dithiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3,4-dithiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62503080
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name3,4-dithiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccs2)c1-c1cccs1
InChIInChI=1S/C11H8N2OS2/c12-11-9(7-3-1-5-15-7)10(13-14-11)8-4-2-6-16-8/h1-6H,12H2
InChIKeyKMGOJHWBEGJBKK-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dithiophen-2-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 3,4-dithiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3,4-dithiophen-2-yl-1,2-oxazol-5-amine (CID 62503080) is 3,4-dithiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3,4-dithiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3,4-dithiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2cccs2)c1-c1cccs1.
What is the InChIKey of 3,4-dithiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is KMGOJHWBEGJBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c12-11-9(7-3-1-5-15-7)10(13-14-11)8-4-2-6-16-8/h1-6H,12H2.
What are the key properties of 3,4-dithiophen-2-yl-1,2-oxazol-5-amine?
3,4-dithiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 248.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dithiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62503080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).