2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine

C15H18N2O2S2 — CID 63072363

IUPAC2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
SMILESCCOC(CN)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H18N2O2S2/c1-3-18-10(7-16)8-19-12-6-13-14(17-9(2)21-13)15-11(12)4-5-20-15/h4-6,10H,3,7-8,16H2,1-2H3
InChIKeyHAXFHOHIORZYCF-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.56
Rot. Bonds6

About 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine

2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine (PubChem CID 63072363) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
PubChem CID63072363
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
SMILESCCOC(CN)COc1cc2sc(C)nc2c2sccc12
InChIInChI=1S/C15H18N2O2S2/c1-3-18-10(7-16)8-19-12-6-13-14(17-9(2)21-13)15-11(12)4-5-20-15/h4-6,10H,3,7-8,16H2,1-2H3
InChIKeyHAXFHOHIORZYCF-UHFFFAOYSA-N
XLogP3.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine (CID 63072363) is 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine is CCOC(CN)COc1cc2sc(C)nc2c2sccc12.
What is the InChIKey of 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
The InChIKey is HAXFHOHIORZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-3-18-10(7-16)8-19-12-6-13-14(17-9(2)21-13)15-11(12)4-5-20-15/h4-6,10H,3,7-8,16H2,1-2H3.
What are the key properties of 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine?
2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine has a molecular weight of 322.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine is sourced from PubChem (CID 63072363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).