ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate

C9H10N2O2S — CID 13060078

IUPACethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1nc2sccn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-4-5-14-9(11)10-7/h4-5H,3H2,1-2H3
InChIKeyHIRYIJZABCVZRP-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.88
Rot. Bonds2

About ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate

ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate (PubChem CID 13060078) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate
PubChem CID13060078
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate
SMILESCCOC(=O)c1nc2sccn2c1C
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-4-5-14-9(11)10-7/h4-5H,3H2,1-2H3
InChIKeyHIRYIJZABCVZRP-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The IUPAC name of ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate (CID 13060078) is ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate.
What is the SMILES notation for ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The canonical SMILES for ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate is CCOC(=O)c1nc2sccn2c1C.
What is the InChIKey of ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
The InChIKey is HIRYIJZABCVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-4-5-14-9(11)10-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate?
ethyl 5-methylimidazo[2,1-b][1,3]thiazole-6-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 5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylate is sourced from PubChem (CID 13060078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).