2-methoxy-1,3-benzothiazol-6-amine

C8H8N2OS — CID 12694716

IUPAC2-methoxy-1,3-benzothiazol-6-amine
SMILESCOc1nc2ccc(N)cc2s1
InChIInChI=1S/C8H8N2OS/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3
InChIKeyLMDPSNUTSFKGTO-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds1

About 2-methoxy-1,3-benzothiazol-6-amine

2-methoxy-1,3-benzothiazol-6-amine (PubChem CID 12694716) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-methoxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methoxy-1,3-benzothiazol-6-amine
PubChem CID12694716
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-methoxy-1,3-benzothiazol-6-amine
SMILESCOc1nc2ccc(N)cc2s1
InChIInChI=1S/C8H8N2OS/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3
InChIKeyLMDPSNUTSFKGTO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methoxy-1,3-benzothiazol-6-amine (CID 12694716) is 2-methoxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methoxy-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methoxy-1,3-benzothiazol-6-amine is COc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-methoxy-1,3-benzothiazol-6-amine?
The InChIKey is LMDPSNUTSFKGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3.
What are the key properties of 2-methoxy-1,3-benzothiazol-6-amine?
2-methoxy-1,3-benzothiazol-6-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 2-methoxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 12694716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).