2,6-dimethyl-1,3-benzothiazol-5-ol

C9H9NOS — CID 126677405

IUPAC2,6-dimethyl-1,3-benzothiazol-5-ol
SMILESCc1nc2cc(O)c(C)cc2s1
InChIInChI=1S/C9H9NOS/c1-5-3-9-7(4-8(5)11)10-6(2)12-9/h3-4,11H,1-2H3
InChIKeyBUVRIPWRBXXDCJ-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.62
Rot. Bonds

About 2,6-dimethyl-1,3-benzothiazol-5-ol

2,6-dimethyl-1,3-benzothiazol-5-ol (PubChem CID 126677405) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2,6-dimethyl-1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name2,6-dimethyl-1,3-benzothiazol-5-ol
PubChem CID126677405
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2,6-dimethyl-1,3-benzothiazol-5-ol
SMILESCc1nc2cc(O)c(C)cc2s1
InChIInChI=1S/C9H9NOS/c1-5-3-9-7(4-8(5)11)10-6(2)12-9/h3-4,11H,1-2H3
InChIKeyBUVRIPWRBXXDCJ-UHFFFAOYSA-N
XLogP2.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol
CID 157329405
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
1-ethyl-3-(5-hydroxy-6-methyl-1,3-benzothiazol-2-yl)urea
CID 59603073
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
5-amino-2-methyl-1,3-benzothiazole-6-thiol
CID 142933865
6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
CID 118134419
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
5,6-dimethyl-1,3-benzothiazole-2-thiolate
CID 86307103
2-amino-1,3-benzothiazole-5,6-diol
CID 13158929

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,3-benzothiazol-5-ol?
The IUPAC name of 2,6-dimethyl-1,3-benzothiazol-5-ol (CID 126677405) is 2,6-dimethyl-1,3-benzothiazol-5-ol.
What is the SMILES notation for 2,6-dimethyl-1,3-benzothiazol-5-ol?
The canonical SMILES for 2,6-dimethyl-1,3-benzothiazol-5-ol is Cc1nc2cc(O)c(C)cc2s1.
What is the InChIKey of 2,6-dimethyl-1,3-benzothiazol-5-ol?
The InChIKey is BUVRIPWRBXXDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-5-3-9-7(4-8(5)11)10-6(2)12-9/h3-4,11H,1-2H3.
What are the key properties of 2,6-dimethyl-1,3-benzothiazol-5-ol?
2,6-dimethyl-1,3-benzothiazol-5-ol has a molecular weight of 179.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,3-benzothiazol-5-ol is sourced from PubChem (CID 126677405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).