methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate

C11H7ClFNO3S — CID 54915221

IUPACmethyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2cccc(F)c2)nc1Cl
InChIInChI=1S/C11H7ClFNO3S/c1-16-10(15)8-9(12)14-11(18-8)17-7-4-2-3-6(13)5-7/h2-5H,1H3
InChIKeyDINYSTRZOOJQFS-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.51
Rot. Bonds3

About methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate (PubChem CID 54915221) has the molecular formula C11H7ClFNO3S and a molecular weight of 287.70 g/mol. Its IUPAC name is methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
PubChem CID54915221
Molecular FormulaC11H7ClFNO3S
Molecular Weight287.70 g/mol
Exact Mass286.98
IUPAC Namemethyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2cccc(F)c2)nc1Cl
InChIInChI=1S/C11H7ClFNO3S/c1-16-10(15)8-9(12)14-11(18-8)17-7-4-2-3-6(13)5-7/h2-5H,1H3
InChIKeyDINYSTRZOOJQFS-UHFFFAOYSA-N
XLogP3.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 83133098
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61228562
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
CID 60824795
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
4-chloro-2-(3,5-difluorophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692390
methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
4-chloro-2-(3-cyanophenoxy)-1,3-thiazole-5-carboxylic acid
CID 80693087

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate (CID 54915221) is methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Oc2cccc(F)c2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is DINYSTRZOOJQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3S/c1-16-10(15)8-9(12)14-11(18-8)17-7-4-2-3-6(13)5-7/h2-5H,1H3.
What are the key properties of methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 287.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54915221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).