6-bromo-5-methoxy-2-methyl-1,3-benzothiazole

C9H8BrNOS — CID 118134419

IUPAC6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1Br
InChIInChI=1S/C9H8BrNOS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,1-2H3
InChIKeyOHWOXGUWJPXTMA-UHFFFAOYSA-N
MW258.14 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole

6-bromo-5-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 118134419) has the molecular formula C9H8BrNOS and a molecular weight of 258.14 g/mol. Its IUPAC name is 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
PubChem CID118134419
Molecular FormulaC9H8BrNOS
Molecular Weight258.14 g/mol
Exact Mass256.95
IUPAC Name6-bromo-5-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1cc2nc(C)sc2cc1Br
InChIInChI=1S/C9H8BrNOS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,1-2H3
InChIKeyOHWOXGUWJPXTMA-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
5,6-dimethoxy-2-methyl-1,3-benzothiazole;2,5,7-trimethyl-1,3-benzothiazole
CID 160959310
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methyl-1,3-benzothiazol-6-amine
CID 168583226
5-[(4-bromophenyl)methoxy]-2-methyl-1,3-benzothiazol-6-amine
CID 82827800
2,6-dimethyl-1,3-benzothiazol-5-ol
CID 126677405
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole (CID 118134419) is 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole is COc1cc2nc(C)sc2cc1Br.
What is the InChIKey of 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole?
The InChIKey is OHWOXGUWJPXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNOS/c1-5-11-7-4-8(12-2)6(10)3-9(7)13-5/h3-4H,1-2H3.
What are the key properties of 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole?
6-bromo-5-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 258.14 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 118134419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).