2-bromo-6-propoxy-1,3-benzothiazole

C10H10BrNOS — CID 97033817

IUPAC2-bromo-6-propoxy-1,3-benzothiazole
SMILESCCCOc1ccc2nc(Br)sc2c1
InChIInChI=1S/C10H10BrNOS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3
InChIKeyFPJZFUDBQVBFJL-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-6-propoxy-1,3-benzothiazole

2-bromo-6-propoxy-1,3-benzothiazole (PubChem CID 97033817) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-bromo-6-propoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-6-propoxy-1,3-benzothiazole
PubChem CID97033817
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name2-bromo-6-propoxy-1,3-benzothiazole
SMILESCCCOc1ccc2nc(Br)sc2c1
InChIInChI=1S/C10H10BrNOS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3
InChIKeyFPJZFUDBQVBFJL-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
6-butoxy-1,3-benzothiazole-2-carbonitrile
CID 130461689
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-ol
CID 82189843
3-[(6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
CID 82192417
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
4-[(6-propoxy-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193021
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole
CID 67575086
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-propoxy-1,3-benzothiazole?
The IUPAC name of 2-bromo-6-propoxy-1,3-benzothiazole (CID 97033817) is 2-bromo-6-propoxy-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-6-propoxy-1,3-benzothiazole?
The canonical SMILES for 2-bromo-6-propoxy-1,3-benzothiazole is CCCOc1ccc2nc(Br)sc2c1.
What is the InChIKey of 2-bromo-6-propoxy-1,3-benzothiazole?
The InChIKey is FPJZFUDBQVBFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-bromo-6-propoxy-1,3-benzothiazole?
2-bromo-6-propoxy-1,3-benzothiazole has a molecular weight of 272.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-propoxy-1,3-benzothiazole is sourced from PubChem (CID 97033817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).