2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol

C8H7ClN2O2S — CID 135169361

IUPAC2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(N)nc12
InChIInChI=1S/C8H7ClN2O2S/c1-13-4-2-3(12)5(9)7-6(4)11-8(10)14-7/h2,12H,1H3,(H2,10,11)
InChIKeyBQIKFSODSNPLHW-UHFFFAOYSA-N
MW230.68 g/mol
LogP2.25
Rot. Bonds1

About 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol

2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol (PubChem CID 135169361) has the molecular formula C8H7ClN2O2S and a molecular weight of 230.68 g/mol. Its IUPAC name is 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol
PubChem CID135169361
Molecular FormulaC8H7ClN2O2S
Molecular Weight230.68 g/mol
Exact Mass229.99
IUPAC Name2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)c(Cl)c2sc(N)nc12
InChIInChI=1S/C8H7ClN2O2S/c1-13-4-2-3(12)5(9)7-6(4)11-8(10)14-7/h2,12H,1H3,(H2,10,11)
InChIKeyBQIKFSODSNPLHW-UHFFFAOYSA-N
XLogP2.25
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol?
The IUPAC name of 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol (CID 135169361) is 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol is COc1cc(O)c(Cl)c2sc(N)nc12.
What is the InChIKey of 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol?
The InChIKey is BQIKFSODSNPLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2S/c1-13-4-2-3(12)5(9)7-6(4)11-8(10)14-7/h2,12H,1H3,(H2,10,11).
What are the key properties of 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol?
2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol has a molecular weight of 230.68 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-chloro-4-methoxy-1,3-benzothiazol-6-ol is sourced from PubChem (CID 135169361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).