ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate

C20H16Cl2FNO3S — CID 59786363

IUPACethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1
InChIInChI=1S/C20H16Cl2FNO3S/c1-2-26-19(25)9-15-11-28-20(24-15)16-7-13(21)4-6-18(16)27-10-12-3-5-14(23)8-17(12)22/h3-8,11H,2,9-10H2,1H3
InChIKeyTYZIBEAKJQVYSB-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.94
Rot. Bonds7

About ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 59786363) has the molecular formula C20H16Cl2FNO3S and a molecular weight of 440.32 g/mol. Its IUPAC name is ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID59786363
Molecular FormulaC20H16Cl2FNO3S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Nameethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1
InChIInChI=1S/C20H16Cl2FNO3S/c1-2-26-19(25)9-15-11-28-20(24-15)16-7-13(21)4-6-18(16)27-10-12-3-5-14(23)8-17(12)22/h3-8,11H,2,9-10H2,1H3
InChIKeyTYZIBEAKJQVYSB-UHFFFAOYSA-N
XLogP5.94
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[2-[[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624264
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400350
2-[2-[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 11977922
ethyl 2-[2-[2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624331
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
ethyl 2-[2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623901
ethyl 2-[2-[2-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 42419124
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403345
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate (CID 59786363) is ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1.
What is the InChIKey of ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is TYZIBEAKJQVYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO3S/c1-2-26-19(25)9-15-11-28-20(24-15)16-7-13(21)4-6-18(16)27-10-12-3-5-14(23)8-17(12)22/h3-8,11H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 440.32 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 59786363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).