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

C9H10N2O2S — CID 671011

IUPACethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)10-9-11(7)4-5-14-9/h4-5H,3H2,1-2H3
InChIKeyNSUFDDBQLKSSIN-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.88
Rot. Bonds2

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

ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 671011) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID671011
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Nameethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)10-9-11(7)4-5-14-9/h4-5H,3H2,1-2H3
InChIKeyNSUFDDBQLKSSIN-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 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 671011) is ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1c(C)nc2sccn12.
What is the InChIKey of ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is NSUFDDBQLKSSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)10-9-11(7)4-5-14-9/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-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 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 671011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).