2-methoxy-1,3-benzothiazol-7-ol

C8H7NO2S — CID 145146192

IUPAC2-methoxy-1,3-benzothiazol-7-ol
SMILESCOc1nc2cccc(O)c2s1
InChIInChI=1S/C8H7NO2S/c1-11-8-9-5-3-2-4-6(10)7(5)12-8/h2-4,10H,1H3
InChIKeyBOYGLDJZNVUUJW-UHFFFAOYSA-N
MW181.22 g/mol
LogP2.01
Rot. Bonds1

About 2-methoxy-1,3-benzothiazol-7-ol

2-methoxy-1,3-benzothiazol-7-ol (PubChem CID 145146192) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methoxy-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-methoxy-1,3-benzothiazol-7-ol
PubChem CID145146192
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2-methoxy-1,3-benzothiazol-7-ol
SMILESCOc1nc2cccc(O)c2s1
InChIInChI=1S/C8H7NO2S/c1-11-8-9-5-3-2-4-6(10)7(5)12-8/h2-4,10H,1H3
InChIKeyBOYGLDJZNVUUJW-UHFFFAOYSA-N
XLogP2.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1,3-benzothiazol-7-ol
CID 91798978
2-cyclopropyl-1,3-benzothiazol-7-ol
CID 83818047
2-ethoxy-1,3-benzothiazole-7-carboxylic acid
CID 119086424
2-propan-2-yloxy-1,3-benzothiazole-7-carboxylic acid
CID 10681349
7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole
CID 10847606
4-tert-butyl-N-(2-methoxy-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 90606233
2-(difluoromethyl)-7-methoxy-1,3-benzothiazole
CID 118837468
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275756
CID 89011087
CID 89011087
1,3-benzothiazol-7-ol
CID 23289256
1,2,3-benzothiadiazol-7-ol
CID 83680193
1-(2-hydroxy-4-methoxyphenyl)-2-(7-methoxy-1,3-benzothiazol-2-yl)ethanone
CID 121359997

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-benzothiazol-7-ol?
The IUPAC name of 2-methoxy-1,3-benzothiazol-7-ol (CID 145146192) is 2-methoxy-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-methoxy-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-methoxy-1,3-benzothiazol-7-ol is COc1nc2cccc(O)c2s1.
What is the InChIKey of 2-methoxy-1,3-benzothiazol-7-ol?
The InChIKey is BOYGLDJZNVUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c1-11-8-9-5-3-2-4-6(10)7(5)12-8/h2-4,10H,1H3.
What are the key properties of 2-methoxy-1,3-benzothiazol-7-ol?
2-methoxy-1,3-benzothiazol-7-ol has a molecular weight of 181.22 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-benzothiazol-7-ol is sourced from PubChem (CID 145146192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).