4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine

C14H14N2OS2 — CID 77110517

IUPAC4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine
SMILESCc1nc2c(cc(OCC=CCN)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-2-5-15)10-4-7-18-14(10)13/h2-4,7-8H,5-6,15H2,1H3
InChIKeyODCZOVFDJIFUOF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.71
Rot. Bonds4

About 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine

4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine (PubChem CID 77110517) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine.

Molecular Properties

Compound Name4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine
PubChem CID77110517
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine
SMILESCc1nc2c(cc(OCC=CCN)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-2-5-15)10-4-7-18-14(10)13/h2-4,7-8H,5-6,15H2,1H3
InChIKeyODCZOVFDJIFUOF-UHFFFAOYSA-N
XLogP3.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine?
The IUPAC name of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine (CID 77110517) is 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine.
What is the SMILES notation for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine?
The canonical SMILES for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine is Cc1nc2c(cc(OCC=CCN)c3ccsc32)s1.
What is the InChIKey of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine?
The InChIKey is ODCZOVFDJIFUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-9-16-13-12(19-9)8-11(17-6-3-2-5-15)10-4-7-18-14(10)13/h2-4,7-8H,5-6,15H2,1H3.
What are the key properties of 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine?
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine is sourced from PubChem (CID 77110517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).