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

C7H8ClNO2S — CID 66223898

IUPACethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-2-11-7(10)3-6-9-4-5(8)12-6/h4H,2-3H2,1H3
InChIKeyITRYYLSKUNPEFG-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.90
Rot. Bonds3

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

ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate (PubChem CID 66223898) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
PubChem CID66223898
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Nameethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1ncc(Cl)s1
InChIInChI=1S/C7H8ClNO2S/c1-2-11-7(10)3-6-9-4-5(8)12-6/h4H,2-3H2,1H3
InChIKeyITRYYLSKUNPEFG-UHFFFAOYSA-N
XLogP1.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(5-chloro-1,3-thiazol-2-yl)-3-hydroxypropanoate
CID 107125457
ethyl 4-(5-bromo-1,3-thiazol-2-yl)-3-oxobutanoate
CID 156888760
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
CID 90403348
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-(5-bromo-1,3-thiazol-2-yl)-2-oxopropanoate
CID 83826150
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
2-(5-chloro-1,3-thiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)ethanone
CID 126839304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate (CID 66223898) is ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1ncc(Cl)s1.
What is the InChIKey of ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate?
The InChIKey is ITRYYLSKUNPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-2-11-7(10)3-6-9-4-5(8)12-6/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate?
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate has a molecular weight of 205.67 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 66223898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).