7-methoxy-1,2-benzothiazol-3-amine

C8H8N2OS — CID 13123248

IUPAC7-methoxy-1,2-benzothiazol-3-amine
SMILESCOc1cccc2c(N)nsc12
InChIInChI=1S/C8H8N2OS/c1-11-6-4-2-3-5-7(6)12-10-8(5)9/h2-4H,1H3,(H2,9,10)
InChIKeyNDCXQKAJSJQIMK-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds1

About 7-methoxy-1,2-benzothiazol-3-amine

7-methoxy-1,2-benzothiazol-3-amine (PubChem CID 13123248) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 7-methoxy-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name7-methoxy-1,2-benzothiazol-3-amine
PubChem CID13123248
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name7-methoxy-1,2-benzothiazol-3-amine
SMILESCOc1cccc2c(N)nsc12
InChIInChI=1S/C8H8N2OS/c1-11-6-4-2-3-5-7(6)12-10-8(5)9/h2-4H,1H3,(H2,9,10)
InChIKeyNDCXQKAJSJQIMK-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2-benzothiazol-3-amine?
The IUPAC name of 7-methoxy-1,2-benzothiazol-3-amine (CID 13123248) is 7-methoxy-1,2-benzothiazol-3-amine.
What is the SMILES notation for 7-methoxy-1,2-benzothiazol-3-amine?
The canonical SMILES for 7-methoxy-1,2-benzothiazol-3-amine is COc1cccc2c(N)nsc12.
What is the InChIKey of 7-methoxy-1,2-benzothiazol-3-amine?
The InChIKey is NDCXQKAJSJQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-6-4-2-3-5-7(6)12-10-8(5)9/h2-4H,1H3,(H2,9,10).
What are the key properties of 7-methoxy-1,2-benzothiazol-3-amine?
7-methoxy-1,2-benzothiazol-3-amine has a molecular weight of 180.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2-benzothiazol-3-amine is sourced from PubChem (CID 13123248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).