2-bromo-4-methoxy-1,3-benzothiazol-6-ol

C8H6BrNO2S — CID 135157042

IUPAC2-bromo-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)cc2sc(Br)nc12
InChIInChI=1S/C8H6BrNO2S/c1-12-5-2-4(11)3-6-7(5)10-8(9)13-6/h2-3,11H,1H3
InChIKeyHUJNWAYQTNAHRT-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.77
Rot. Bonds1

About 2-bromo-4-methoxy-1,3-benzothiazol-6-ol

2-bromo-4-methoxy-1,3-benzothiazol-6-ol (PubChem CID 135157042) has the molecular formula C8H6BrNO2S and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-bromo-4-methoxy-1,3-benzothiazol-6-ol
PubChem CID135157042
Molecular FormulaC8H6BrNO2S
Molecular Weight260.11 g/mol
Exact Mass258.93
IUPAC Name2-bromo-4-methoxy-1,3-benzothiazol-6-ol
SMILESCOc1cc(O)cc2sc(Br)nc12
InChIInChI=1S/C8H6BrNO2S/c1-12-5-2-4(11)3-6-7(5)10-8(9)13-6/h2-3,11H,1H3
InChIKeyHUJNWAYQTNAHRT-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,9-dimethoxyphenazine-2,7-diol
CID 146380846
4-bromo-3,5-dimethoxyphenol
CID 14339099
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
6-fluoro-4-methoxy-2-methylsulfanyl-1,3-benzothiazole
CID 175121247
(4-methoxy-6-methyl-1,3-benzothiazol-2-yl)cyanamide
CID 14441934
4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 118371301
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1,3-benzothiazol-6-ol?
The IUPAC name of 2-bromo-4-methoxy-1,3-benzothiazol-6-ol (CID 135157042) is 2-bromo-4-methoxy-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-bromo-4-methoxy-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-bromo-4-methoxy-1,3-benzothiazol-6-ol is COc1cc(O)cc2sc(Br)nc12.
What is the InChIKey of 2-bromo-4-methoxy-1,3-benzothiazol-6-ol?
The InChIKey is HUJNWAYQTNAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2S/c1-12-5-2-4(11)3-6-7(5)10-8(9)13-6/h2-3,11H,1H3.
What are the key properties of 2-bromo-4-methoxy-1,3-benzothiazol-6-ol?
2-bromo-4-methoxy-1,3-benzothiazol-6-ol has a molecular weight of 260.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1,3-benzothiazol-6-ol is sourced from PubChem (CID 135157042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).