4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one

C10H10BrNO2S — CID 15141999

IUPAC4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one
SMILESCCOc1ccc(Br)c2c1sc(=O)n2C
InChIInChI=1S/C10H10BrNO2S/c1-3-14-7-5-4-6(11)8-9(7)15-10(13)12(8)2/h4-5H,3H2,1-2H3
InChIKeyXGJUVZQBNMMGJM-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.76
Rot. Bonds2

About 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one

4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one (PubChem CID 15141999) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one
PubChem CID15141999
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one
SMILESCCOc1ccc(Br)c2c1sc(=O)n2C
InChIInChI=1S/C10H10BrNO2S/c1-3-14-7-5-4-6(11)8-9(7)15-10(13)12(8)2/h4-5H,3H2,1-2H3
InChIKeyXGJUVZQBNMMGJM-UHFFFAOYSA-N
XLogP2.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-chloro-4-ethoxy-1-benzothiophene-2-carboxylic acid
CID 91756165
4-bromo-1-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62732047
2-bromo-4-chloro-7-ethoxy-1-benzothiophene
CID 131080410
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
6-bromo-3-ethoxy-7-iodo-1-benzothiophene
CID 130785792
1-bromo-2-chloro-4-ethoxy-3-methylbenzene
CID 146035250
8-bromo-5-ethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 62732048
3-bromo-2-ethoxy-9-methylcarbazole
CID 153297247
6-bromo-2-chloro-3-ethoxyaniline
CID 118418845
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one?
The IUPAC name of 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one (CID 15141999) is 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one?
The canonical SMILES for 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one is CCOc1ccc(Br)c2c1sc(=O)n2C.
What is the InChIKey of 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one?
The InChIKey is XGJUVZQBNMMGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c1-3-14-7-5-4-6(11)8-9(7)15-10(13)12(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one?
4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one has a molecular weight of 288.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-ethoxy-3-methyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 15141999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).