ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C9H10N2O2S — CID 14801951

IUPACethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nccn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3
InChIKeyLBBSFTFSJPJBTL-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.88
Rot. Bonds2

About ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 14801951) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID14801951
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nccn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3
InChIKeyLBBSFTFSJPJBTL-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-1-one
CID 112713651
ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81494571
methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate
CID 163588493
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)methanamine
CID 82503049
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496957
ethyl 4-methyl-2-[(E)-2-(1-methylimidazol-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
CID 56825366
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
diethyl imidazole-1,2-dicarboxylate
CID 23185165

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 14801951) is ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nccn2c1C.
What is the InChIKey of ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is LBBSFTFSJPJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 210.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 14801951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).