methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C14H10F2N2O2S — CID 115384502

IUPACmethyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3cc(F)c(C)cc3F)nc2s1
InChIInChI=1S/C14H10F2N2O2S/c1-7-3-10(16)8(4-9(7)15)11-5-18-6-12(13(19)20-2)21-14(18)17-11/h3-6H,1-2H3
InChIKeyWGGWFISWPOLRKU-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.44
Rot. Bonds2

About methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 115384502) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID115384502
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Namemethyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3cc(F)c(C)cc3F)nc2s1
InChIInChI=1S/C14H10F2N2O2S/c1-7-3-10(16)8(4-9(7)15)11-5-18-6-12(13(19)20-2)21-14(18)17-11/h3-6H,1-2H3
InChIKeyWGGWFISWPOLRKU-UHFFFAOYSA-N
XLogP3.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(5-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298989
methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298999
methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 107355250
methyl 6-[2-fluoro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 170717157
methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384515
methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115996483
6-(2,5-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 115384598
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 102626023
methyl 5-amino-2-(2,4-difluoro-5-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199677
6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
methyl 8-fluoro-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 154869268

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 115384502) is methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2cc(-c3cc(F)c(C)cc3F)nc2s1.
What is the InChIKey of methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is WGGWFISWPOLRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-7-3-10(16)8(4-9(7)15)11-5-18-6-12(13(19)20-2)21-14(18)17-11/h3-6H,1-2H3.
What are the key properties of methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 308.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 115384502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).