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

C8H8N2OS — CID 21622

IUPAC4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(N)nc12
InChIInChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
InChIKeyYEBCRAVYUWNFQT-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxy-1,3-benzothiazol-2-amine

4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 21622) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-1,3-benzothiazol-2-amine
PubChem CID21622
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(N)nc12
InChIInChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10)
InChIKeyYEBCRAVYUWNFQT-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 4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-1,3-benzothiazol-2-amine (CID 21622) is 4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-1,3-benzothiazol-2-amine is COc1cccc2sc(N)nc12.
What is the InChIKey of 4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is YEBCRAVYUWNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 4-methoxy-1,3-benzothiazol-2-amine?
4-methoxy-1,3-benzothiazol-2-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 4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 21622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).