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

C12H14N2O3S — CID 14176240

IUPACethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sc(C(C)=O)c(C)n12
InChIInChI=1S/C12H14N2O3S/c1-5-17-11(16)9-6(2)13-12-14(9)7(3)10(18-12)8(4)15/h5H2,1-4H3
InChIKeyFTWDAJAOSLGKRS-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.39
Rot. Bonds3

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

ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 14176240) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID14176240
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2sc(C(C)=O)c(C)n12
InChIInChI=1S/C12H14N2O3S/c1-5-17-11(16)9-6(2)13-12-14(9)7(3)10(18-12)8(4)15/h5H2,1-4H3
InChIKeyFTWDAJAOSLGKRS-UHFFFAOYSA-N
XLogP2.39
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 14176240) is ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1c(C)nc2sc(C(C)=O)c(C)n12.
What is the InChIKey of ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is FTWDAJAOSLGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-5-17-11(16)9-6(2)13-12-14(9)7(3)10(18-12)8(4)15/h5H2,1-4H3.
What are the key properties of ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 14176240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).