2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide

C19H17BrN2O3S — CID 17437785

IUPAC2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C19H17BrN2O3S/c1-2-24-15-10-12(9-13(20)19(15)25-11-17(21)23)7-8-18-22-14-5-3-4-6-16(14)26-18/h3-10H,2,11H2,1H3,(H2,21,23)/b8-7+
InChIKeyGPCKHNCZHFXKMQ-BQYQJAHWSA-N
MW433.33 g/mol
LogP4.49
Rot. Bonds7

About 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide

2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide (PubChem CID 17437785) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide
PubChem CID17437785
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC Name2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C19H17BrN2O3S/c1-2-24-15-10-12(9-13(20)19(15)25-11-17(21)23)7-8-18-22-14-5-3-4-6-16(14)26-18/h3-10H,2,11H2,1H3,(H2,21,23)/b8-7+
InChIKeyGPCKHNCZHFXKMQ-BQYQJAHWSA-N
XLogP4.49
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-chloro-6-ethoxyphenoxy]-N,N-dimethylacetamide
CID 6213138
(2-ethoxyphenyl) (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 55331940
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510809
3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)but-3-enoic acid
CID 4812891
2-[2-(3-ethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 75890376
2-[2-(3-bromo-4,5-diethoxyphenyl)ethenyl]quinoline
CID 2961249
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
2-[2-bromo-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-6-ethoxyphenoxy]acetamide
CID 168599825
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126276252
4-(1,3-benzothiazol-2-yl)-5-(3-bromo-5-ethoxy-4-hydroxyphenyl)pent-4-enoic acid
CID 4035226
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide (CID 17437785) is 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide is CCOc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide?
The InChIKey is GPCKHNCZHFXKMQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-2-24-15-10-12(9-13(20)19(15)25-11-17(21)23)7-8-18-22-14-5-3-4-6-16(14)26-18/h3-10H,2,11H2,1H3,(H2,21,23)/b8-7+.
What are the key properties of 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide?
2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide has a molecular weight of 433.33 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-bromo-6-ethoxyphenoxy]acetamide is sourced from PubChem (CID 17437785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).