4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole

C12H14BrNOS — CID 146163543

IUPAC4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
SMILESCOc1cc(Br)c2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C12H14BrNOS/c1-12(2,3)11-14-10-8(13)5-7(15-4)6-9(10)16-11/h5-6H,1-4H3
InChIKeyPXLSTKWJTGHFPV-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.36
Rot. Bonds1

About 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole

4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole (PubChem CID 146163543) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
PubChem CID146163543
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole
SMILESCOc1cc(Br)c2nc(C(C)(C)C)sc2c1
InChIInChI=1S/C12H14BrNOS/c1-12(2,3)11-14-10-8(13)5-7(15-4)6-9(10)16-11/h5-6H,1-4H3
InChIKeyPXLSTKWJTGHFPV-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 178049407
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
2,6-ditert-butyl-4-fluoro-1,3-benzothiazole
CID 134411028
CID 178048782
CID 178048782
2-chloro-6-methoxy-1,3-benzothiazol-4-amine
CID 53412789
2,6-ditert-butyl-4-(fluoromethoxy)-1,3-benzothiazole
CID 134411058
2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
tert-butyl N-[2-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)propan-2-yl]carbamate
CID 178049081
6-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 147060099
2,6-dibromo-4-methoxypyridine
CID 10901569
2-tert-butyl-4-ethoxy-6-propan-2-yl-1,3-benzothiazole
CID 149454922

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole?
The IUPAC name of 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole (CID 146163543) is 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole is COc1cc(Br)c2nc(C(C)(C)C)sc2c1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole?
The InChIKey is PXLSTKWJTGHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-12(2,3)11-14-10-8(13)5-7(15-4)6-9(10)16-11/h5-6H,1-4H3.
What are the key properties of 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole?
4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole has a molecular weight of 300.22 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 146163543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).