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

C8H7ClN2OS — CID 945354

IUPAC5-chloro-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(N)nc2cc1Cl
InChIInChI=1S/C8H7ClN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKeyWSLXLABOEWJWJL-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.54
Rot. Bonds1

About 5-chloro-6-methoxy-1,3-benzothiazol-2-amine

5-chloro-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 945354) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 5-chloro-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID945354
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name5-chloro-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2sc(N)nc2cc1Cl
InChIInChI=1S/C8H7ClN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKeyWSLXLABOEWJWJL-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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-6-methoxy-1,3-benzothiazol-2-amine (CID 945354) is 5-chloro-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-6-methoxy-1,3-benzothiazol-2-amine is COc1cc2sc(N)nc2cc1Cl.
What is the InChIKey of 5-chloro-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is WSLXLABOEWJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-12-6-3-7-5(2-4(6)9)11-8(10)13-7/h2-3H,1H3,(H2,10,11).
What are the key properties of 5-chloro-6-methoxy-1,3-benzothiazol-2-amine?
5-chloro-6-methoxy-1,3-benzothiazol-2-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 5-chloro-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 945354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).