4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine

C12H10N2OS2 — CID 87471602

IUPAC4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2ccsc2)c2sc(N)nc12
InChIInChI=1S/C12H10N2OS2/c1-15-9-3-2-8(7-4-5-16-6-7)11-10(9)14-12(13)17-11/h2-6H,1H3,(H2,13,14)
InChIKeyXJEYRAFUORNKEA-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.62
Rot. Bonds2

About 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine

4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine (PubChem CID 87471602) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine
PubChem CID87471602
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2ccsc2)c2sc(N)nc12
InChIInChI=1S/C12H10N2OS2/c1-15-9-3-2-8(7-4-5-16-6-7)11-10(9)14-12(13)17-11/h2-6H,1H3,(H2,13,14)
InChIKeyXJEYRAFUORNKEA-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine (CID 87471602) is 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine is COc1ccc(-c2ccsc2)c2sc(N)nc12.
What is the InChIKey of 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is XJEYRAFUORNKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-15-9-3-2-8(7-4-5-16-6-7)11-10(9)14-12(13)17-11/h2-6H,1H3,(H2,13,14).
What are the key properties of 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine?
4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87471602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).