methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C14H11FN2O2S — CID 115996483

IUPACmethyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(C)c(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H11FN2O2S/c1-8-12(9-5-3-4-6-10(9)15)16-14-17(8)7-11(20-14)13(18)19-2/h3-7H,1-2H3
InChIKeyXHYVRLWAVWKMNJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.30
Rot. Bonds2

About methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 115996483) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID115996483
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Namemethyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(C)c(-c3ccccc3F)nc2s1
InChIInChI=1S/C14H11FN2O2S/c1-8-12(9-5-3-4-6-10(9)15)16-14-17(8)7-11(20-14)13(18)19-2/h3-7H,1-2H3
InChIKeyXHYVRLWAVWKMNJ-UHFFFAOYSA-N
XLogP3.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 115996483) is methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2c(C)c(-c3ccccc3F)nc2s1.
What is the InChIKey of methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is XHYVRLWAVWKMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-8-12(9-5-3-4-6-10(9)15)16-14-17(8)7-11(20-14)13(18)19-2/h3-7H,1-2H3.
What are the key properties of methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 115996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).