5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H8N2OS3 — CID 80739587

IUPAC5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3sccc3s2)c1-c1cccs1
InChIInChI=1S/C13H8N2OS3/c14-13-11(8-2-1-4-17-8)12(16-15-13)10-6-9-7(19-10)3-5-18-9/h1-6H,(H2,14,15)
InChIKeyPXENDORVKYIVGO-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.93
Rot. Bonds2

About 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine

5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 80739587) has the molecular formula C13H8N2OS3 and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID80739587
Molecular FormulaC13H8N2OS3
Molecular Weight304.42 g/mol
Exact Mass303.98
IUPAC Name5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3sccc3s2)c1-c1cccs1
InChIInChI=1S/C13H8N2OS3/c14-13-11(8-2-1-4-17-8)12(16-15-13)10-6-9-7(19-10)3-5-18-9/h1-6H,(H2,14,15)
InChIKeyPXENDORVKYIVGO-UHFFFAOYSA-N
XLogP4.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 80738631
5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200386
4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 113490807
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66203231
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
5-(2,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199984
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
CID 80745588
5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 107984276

Frequently Asked Questions

What is the IUPAC name of 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 80739587) is 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc3sccc3s2)c1-c1cccs1.
What is the InChIKey of 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is PXENDORVKYIVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS3/c14-13-11(8-2-1-4-17-8)12(16-15-13)10-6-9-7(19-10)3-5-18-9/h1-6H,(H2,14,15).
What are the key properties of 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 304.42 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80739587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).