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

C11H8N2OS2 — CID 62502395

IUPAC4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccsc2)c1-c1cccs1
InChIInChI=1S/C11H8N2OS2/c12-11-9(8-2-1-4-16-8)10(13-14-11)7-3-5-15-6-7/h1-6H,12H2
InChIKeyLZMNNWIFSOXHTB-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.71
Rot. Bonds2

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

4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine (PubChem CID 62502395) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
PubChem CID62502395
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccsc2)c1-c1cccs1
InChIInChI=1S/C11H8N2OS2/c12-11-9(8-2-1-4-16-8)10(13-14-11)7-3-5-15-6-7/h1-6H,12H2
InChIKeyLZMNNWIFSOXHTB-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

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine (CID 62502395) is 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccsc2)c1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
The InChIKey is LZMNNWIFSOXHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c12-11-9(8-2-1-4-16-8)10(13-14-11)7-3-5-15-6-7/h1-6H,12H2.
What are the key properties of 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine?
4-thiophen-2-yl-3-thiophen-3-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 4-thiophen-2-yl-3-thiophen-3-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62502395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).