2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole

C12H14BrNOS — CID 150362652

IUPAC2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole
SMILESCc1c(OC(C)C)cc2sc(Br)nc2c1C
InChIInChI=1S/C12H14BrNOS/c1-6(2)15-9-5-10-11(8(4)7(9)3)14-12(13)16-10/h5-6H,1-4H3
InChIKeyGWAOAGZCLXJNDL-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole

2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole (PubChem CID 150362652) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole
PubChem CID150362652
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole
SMILESCc1c(OC(C)C)cc2sc(Br)nc2c1C
InChIInChI=1S/C12H14BrNOS/c1-6(2)15-9-5-10-11(8(4)7(9)3)14-12(13)16-10/h5-6H,1-4H3
InChIKeyGWAOAGZCLXJNDL-UHFFFAOYSA-N
XLogP4.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole?
The IUPAC name of 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole (CID 150362652) is 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole is Cc1c(OC(C)C)cc2sc(Br)nc2c1C.
What is the InChIKey of 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole?
The InChIKey is GWAOAGZCLXJNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-6(2)15-9-5-10-11(8(4)7(9)3)14-12(13)16-10/h5-6H,1-4H3.
What are the key properties of 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole?
2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole has a molecular weight of 300.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethyl-6-propan-2-yloxy-1,3-benzothiazole is sourced from PubChem (CID 150362652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).