2-chloro-6-methoxy-1,3-benzothiazol-4-amine

C8H7ClN2OS — CID 53412789

IUPAC2-chloro-6-methoxy-1,3-benzothiazol-4-amine
SMILESCOc1cc(N)c2nc(Cl)sc2c1
InChIInChI=1S/C8H7ClN2OS/c1-12-4-2-5(10)7-6(3-4)13-8(9)11-7/h2-3H,10H2,1H3
InChIKeyVELJDZAZIMKLGM-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.54
Rot. Bonds1

About 2-chloro-6-methoxy-1,3-benzothiazol-4-amine

2-chloro-6-methoxy-1,3-benzothiazol-4-amine (PubChem CID 53412789) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-chloro-6-methoxy-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-chloro-6-methoxy-1,3-benzothiazol-4-amine
PubChem CID53412789
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-chloro-6-methoxy-1,3-benzothiazol-4-amine
SMILESCOc1cc(N)c2nc(Cl)sc2c1
InChIInChI=1S/C8H7ClN2OS/c1-12-4-2-5(10)7-6(3-4)13-8(9)11-7/h2-3H,10H2,1H3
InChIKeyVELJDZAZIMKLGM-UHFFFAOYSA-N
XLogP2.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.54
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-chloro-6-methoxy-1,3-benzothiazol-4-amine?
The IUPAC name of 2-chloro-6-methoxy-1,3-benzothiazol-4-amine (CID 53412789) is 2-chloro-6-methoxy-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-chloro-6-methoxy-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-chloro-6-methoxy-1,3-benzothiazol-4-amine is COc1cc(N)c2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-6-methoxy-1,3-benzothiazol-4-amine?
The InChIKey is VELJDZAZIMKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-12-4-2-5(10)7-6(3-4)13-8(9)11-7/h2-3H,10H2,1H3.
What are the key properties of 2-chloro-6-methoxy-1,3-benzothiazol-4-amine?
2-chloro-6-methoxy-1,3-benzothiazol-4-amine has a molecular weight of 214.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-1,3-benzothiazol-4-amine is sourced from PubChem (CID 53412789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).