2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine

C12H12N2OS2 — CID 24702680

IUPAC2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
SMILESCc1nc2c(cc(OCCN)c3ccsc32)s1
InChIInChI=1S/C12H12N2OS2/c1-7-14-11-10(17-7)6-9(15-4-3-13)8-2-5-16-12(8)11/h2,5-6H,3-4,13H2,1H3
InChIKeyBAGIVGWNCITZHB-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine

2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine (PubChem CID 24702680) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine.

Molecular Properties

Compound Name2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
PubChem CID24702680
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
SMILESCc1nc2c(cc(OCCN)c3ccsc32)s1
InChIInChI=1S/C12H12N2OS2/c1-7-14-11-10(17-7)6-9(15-4-3-13)8-2-5-16-12(8)11/h2,5-6H,3-4,13H2,1H3
InChIKeyBAGIVGWNCITZHB-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine?
The IUPAC name of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine (CID 24702680) is 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine.
What is the SMILES notation for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine?
The canonical SMILES for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine is Cc1nc2c(cc(OCCN)c3ccsc32)s1.
What is the InChIKey of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine?
The InChIKey is BAGIVGWNCITZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-7-14-11-10(17-7)6-9(15-4-3-13)8-2-5-16-12(8)11/h2,5-6H,3-4,13H2,1H3.
What are the key properties of 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine?
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine has a molecular weight of 264.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine is sourced from PubChem (CID 24702680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).