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

C13H10FN3O2S — CID 115940922

IUPACmethyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(C)c(-c3ccc(F)cn3)nc2s1
InChIInChI=1S/C13H10FN3O2S/c1-7-11(9-4-3-8(14)5-15-9)16-13-17(7)6-10(20-13)12(18)19-2/h3-6H,1-2H3
InChIKeyMSKRKGPLGGSDIY-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds2

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

methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 115940922) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID115940922
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Namemethyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(C)c(-c3ccc(F)cn3)nc2s1
InChIInChI=1S/C13H10FN3O2S/c1-7-11(9-4-3-8(14)5-15-9)16-13-17(7)6-10(20-13)12(18)19-2/h3-6H,1-2H3
InChIKeyMSKRKGPLGGSDIY-UHFFFAOYSA-N
XLogP2.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115996483
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
6-bromo-2-(5-fluoro-2-pyridinyl)-3,7-dimethylimidazo[1,2-a]pyridine
CID 112586916
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
CID 156842816
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384502
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
methyl 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylate
CID 80572631
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
methyl 5-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-2-carboxylate
CID 66644374
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 115940922) is methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2c(C)c(-c3ccc(F)cn3)nc2s1.
What is the InChIKey of methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is MSKRKGPLGGSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-7-11(9-4-3-8(14)5-15-9)16-13-17(7)6-10(20-13)12(18)19-2/h3-6H,1-2H3.
What are the key properties of methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-fluoro-2-pyridinyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 115940922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).