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

C10H12N2O2S — CID 178200635

IUPACmethyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1ncc2sc(C(=O)OC)c(C)n12
InChIInChI=1S/C10H12N2O2S/c1-4-7-11-5-8-12(7)6(2)9(15-8)10(13)14-3/h5H,4H2,1-3H3
InChIKeyATCQBYRBNMSGKT-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.05
Rot. Bonds2

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

methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate (PubChem CID 178200635) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate
PubChem CID178200635
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Namemethyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1ncc2sc(C(=O)OC)c(C)n12
InChIInChI=1S/C10H12N2O2S/c1-4-7-11-5-8-12(7)6(2)9(15-8)10(13)14-3/h5H,4H2,1-3H3
InChIKeyATCQBYRBNMSGKT-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate (CID 178200635) is methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate is CCc1ncc2sc(C(=O)OC)c(C)n12.
What is the InChIKey of methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is ATCQBYRBNMSGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-4-7-11-5-8-12(7)6(2)9(15-8)10(13)14-3/h5H,4H2,1-3H3.
What are the key properties of methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate?
methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 224.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-3-methylimidazo[5,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 178200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).