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

C14H14N2OS2 — CID 66357084

IUPAC3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine
SMILESCc1nc2c(cc(OC3CC(N)C3)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-7-16-13-12(19-7)6-11(10-2-3-18-14(10)13)17-9-4-8(15)5-9/h2-3,6,8-9H,4-5,15H2,1H3
InChIKeyJEPFWTPADRKPRG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.69
Rot. Bonds2

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

3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine (PubChem CID 66357084) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine
PubChem CID66357084
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine
SMILESCc1nc2c(cc(OC3CC(N)C3)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-7-16-13-12(19-7)6-11(10-2-3-18-14(10)13)17-9-4-8(15)5-9/h2-3,6,8-9H,4-5,15H2,1H3
InChIKeyJEPFWTPADRKPRG-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine?
The IUPAC name of 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine (CID 66357084) is 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine?
The canonical SMILES for 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine is Cc1nc2c(cc(OC3CC(N)C3)c3ccsc32)s1.
What is the InChIKey of 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine?
The InChIKey is JEPFWTPADRKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-7-16-13-12(19-7)6-11(10-2-3-18-14(10)13)17-9-4-8(15)5-9/h2-3,6,8-9H,4-5,15H2,1H3.
What are the key properties of 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine?
3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxycyclobutan-1-amine is sourced from PubChem (CID 66357084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).