methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

C12H9ClFNO2S — CID 53271288

IUPACmethyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1c(F)cccc1Cl
InChIInChI=1S/C12H9ClFNO2S/c1-6-15-10(12(16)17-2)11(18-6)9-7(13)4-3-5-8(9)14/h3-5H,1-2H3
InChIKeyIJIQDZLZMIKNCM-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.70
Rot. Bonds2

About methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 53271288) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID53271288
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Namemethyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1c(F)cccc1Cl
InChIInChI=1S/C12H9ClFNO2S/c1-6-15-10(12(16)17-2)11(18-6)9-7(13)4-3-5-8(9)14/h3-5H,1-2H3
InChIKeyIJIQDZLZMIKNCM-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-5-(2-chloro-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 53271473
methyl 5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 67018202
methyl 5-(furan-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271156
methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
CID 43155527
methyl 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306543
methyl 5-(3-bromothiophen-2-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 106510688
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methanesulfonyl chloride;methyl 5-[3-(methanesulfonamido)phenyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 162157166
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 53271288) is methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1c(F)cccc1Cl.
What is the InChIKey of methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is IJIQDZLZMIKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c1-6-15-10(12(16)17-2)11(18-6)9-7(13)4-3-5-8(9)14/h3-5H,1-2H3.
What are the key properties of methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chloro-6-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).