2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate

C13H11ClNO3S- — CID 7745518

IUPAC2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CCOc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClNO3S/c14-9-1-3-11(4-2-9)18-6-5-12-15-10(8-19-12)7-13(16)17/h1-4,8H,5-7H2,(H,16,17)/p-1
InChIKeyAXBRUPZZDARCTF-UHFFFAOYSA-M
MW296.75 g/mol
LogP1.71
Rot. Bonds6

About 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 7745518) has the molecular formula C13H11ClNO3S- and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
PubChem CID7745518
Molecular FormulaC13H11ClNO3S-
Molecular Weight296.75 g/mol
Exact Mass296.02
IUPAC Name2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate
SMILESO=C([O-])Cc1csc(CCOc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12ClNO3S/c14-9-1-3-11(4-2-9)18-6-5-12-15-10(8-19-12)7-13(16)17/h1-4,8H,5-7H2,(H,16,17)/p-1
InChIKeyAXBRUPZZDARCTF-UHFFFAOYSA-M
XLogP1.71
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(4-chlorophenoxy)butyl]-1,3-thiazol-4-yl]acetic acid
CID 82070583
2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
(E)-3-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]prop-2-enoic acid
CID 82516273
2-[2-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9155391
2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
2-[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745392
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-propylphenyl)acetamide
CID 18231102
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate (CID 7745518) is 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate is O=C([O-])Cc1csc(CCOc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is AXBRUPZZDARCTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12ClNO3S/c14-9-1-3-11(4-2-9)18-6-5-12-15-10(8-19-12)7-13(16)17/h1-4,8H,5-7H2,(H,16,17)/p-1.
What are the key properties of 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.75 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenoxy)ethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7745518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).