7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole

C12H14BrNS — CID 134416694

IUPAC7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(C(C)(C)C)c(Br)c2s1
InChIInChI=1S/C12H14BrNS/c1-7-14-9-6-5-8(12(2,3)4)10(13)11(9)15-7/h5-6H,1-4H3
InChIKeyRECTZTQWLDPKNO-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.66
Rot. Bonds

About 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole

7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole (PubChem CID 134416694) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
PubChem CID134416694
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC Name7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(C(C)(C)C)c(Br)c2s1
InChIInChI=1S/C12H14BrNS/c1-7-14-9-6-5-8(12(2,3)4)10(13)11(9)15-7/h5-6H,1-4H3
InChIKeyRECTZTQWLDPKNO-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole?
The IUPAC name of 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole (CID 134416694) is 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole?
The canonical SMILES for 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole is Cc1nc2ccc(C(C)(C)C)c(Br)c2s1.
What is the InChIKey of 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole?
The InChIKey is RECTZTQWLDPKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-7-14-9-6-5-8(12(2,3)4)10(13)11(9)15-7/h5-6H,1-4H3.
What are the key properties of 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole?
7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole has a molecular weight of 284.22 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 134416694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).