methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C12H10N2O3S — CID 113298999

IUPACmethyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C12H10N2O3S/c1-7-3-4-9(17-7)8-5-14-6-10(11(15)16-2)18-12(14)13-8/h3-6H,1-2H3
InChIKeyDFDUYACUZDKJAR-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.75
Rot. Bonds2

About methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 113298999) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID113298999
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Namemethyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3ccc(C)o3)nc2s1
InChIInChI=1S/C12H10N2O3S/c1-7-3-4-9(17-7)8-5-14-6-10(11(15)16-2)18-12(14)13-8/h3-6H,1-2H3
InChIKeyDFDUYACUZDKJAR-UHFFFAOYSA-N
XLogP2.75
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384502
methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384515
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
6-methoxy-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridine
CID 117130164
2-bromo-6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159283
methyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CID 4737236
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 102626023
8-methoxy-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridine
CID 115404785

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 113298999) is methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2cc(-c3ccc(C)o3)nc2s1.
What is the InChIKey of methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is DFDUYACUZDKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-7-3-4-9(17-7)8-5-14-6-10(11(15)16-2)18-12(14)13-8/h3-6H,1-2H3.
What are the key properties of methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 113298999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).