ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

C11H10ClNO3S — CID 14221219

IUPACethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3S/c1-2-16-10(14)6-13-8-5-7(12)3-4-9(8)17-11(13)15/h3-5H,2,6H2,1H3
InChIKeyOYYYOYUUAGTANC-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.28
Rot. Bonds3

About ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate (PubChem CID 14221219) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
PubChem CID14221219
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Nameethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)sc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO3S/c1-2-16-10(14)6-13-8-5-7(12)3-4-9(8)17-11(13)15/h3-5H,2,6H2,1H3
InChIKeyOYYYOYUUAGTANC-UHFFFAOYSA-N
XLogP2.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 90999176
N'-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]ethanimidamide
CID 54550518
ethyl 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoate
CID 68557564
1-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]propan-2-yl acetate
CID 154109536
N-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]formamide
CID 21278887
2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]oxyethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 5159797
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
ethyl 2-[6-chloro-2-(4-chlorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 40892048
ethyl 2-[3-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 11794132
ethyl 2-[2-(2,4-dichlorobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 41092076
4-[[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]-N-methylsulfonylbenzamide
CID 122181672
ethyl 2-[2-(2,5-dichlorobenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate
CID 3307311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate (CID 14221219) is ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is CCOC(=O)Cn1c(=O)sc2ccc(Cl)cc21.
What is the InChIKey of ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?
The InChIKey is OYYYOYUUAGTANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-2-16-10(14)6-13-8-5-7(12)3-4-9(8)17-11(13)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?
ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate has a molecular weight of 271.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is sourced from PubChem (CID 14221219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).