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

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Related Compounds

1-methyl-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80745878
4-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 113490807
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
1-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 80746127
4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 80738631
2-thieno[3,2-b]thiophen-5-ylquinoxaline
CID 162419412
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2-oxazol-5-amine
CID 81261388
(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine
CID 80740070
2-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 80746041
3-(1,1-dioxo-1-benzothiophen-5-yl)-1,2-oxazol-5-amine
CID 117373157
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 126710615
5-thieno[2,3-b]thiophen-5-ylthieno[3,2-b]thiophene
CID 123978480

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).