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

C12H9F2NO2S — CID 67018202

IUPACmethyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2NO2S/c1-6-15-10(12(16)17-2)11(18-6)7-3-8(13)5-9(14)4-7/h3-5H,1-2H3
InChIKeyUXLYCYOGXICJRQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.18
Rot. Bonds2

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

methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 67018202) has the molecular formula C12H9F2NO2S and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID67018202
Molecular FormulaC12H9F2NO2S
Molecular Weight269.27 g/mol
Exact Mass269.03
IUPAC Namemethyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2NO2S/c1-6-15-10(12(16)17-2)11(18-6)7-3-8(13)5-9(14)4-7/h3-5H,1-2H3
InChIKeyUXLYCYOGXICJRQ-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 67018202) is methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1cc(F)cc(F)c1.
What is the InChIKey of methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is UXLYCYOGXICJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S/c1-6-15-10(12(16)17-2)11(18-6)7-3-8(13)5-9(14)4-7/h3-5H,1-2H3.
What are the key properties of methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 269.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 67018202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).