(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine

C10H8N2OS2 — CID 80740070

IUPAC(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1ncc(-c2cc3sccc3s2)o1
InChIInChI=1S/C10H8N2OS2/c11-4-10-12-5-6(13-10)8-3-9-7(15-8)1-2-14-9/h1-3,5H,4,11H2
InChIKeyNGTHIEJBGIJJDY-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.08
Rot. Bonds2

About (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine

(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine (PubChem CID 80740070) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine
PubChem CID80740070
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine
SMILESNCc1ncc(-c2cc3sccc3s2)o1
InChIInChI=1S/C10H8N2OS2/c11-4-10-12-5-6(13-10)8-3-9-7(15-8)1-2-14-9/h1-3,5H,4,11H2
InChIKeyNGTHIEJBGIJJDY-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine?
The IUPAC name of (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine (CID 80740070) is (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine.
What is the SMILES notation for (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine?
The canonical SMILES for (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine is NCc1ncc(-c2cc3sccc3s2)o1.
What is the InChIKey of (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine?
The InChIKey is NGTHIEJBGIJJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS2/c11-4-10-12-5-6(13-10)8-3-9-7(15-8)1-2-14-9/h1-3,5H,4,11H2.
What are the key properties of (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine?
(5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-2-yl)methanamine is sourced from PubChem (CID 80740070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).