ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate

C14H14N2O2S — CID 14067620

IUPACethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(CC)ccc12
InChIInChI=1S/C14H14N2O2S/c1-3-9-5-6-11-12(7-9)19-14-15-10(8-16(11)14)13(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyBFDKOXYWMALANU-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.29
Rot. Bonds3

About ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate

ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 14067620) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID14067620
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(CC)ccc12
InChIInChI=1S/C14H14N2O2S/c1-3-9-5-6-11-12(7-9)19-14-15-10(8-16(11)14)13(17)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyBFDKOXYWMALANU-UHFFFAOYSA-N
XLogP3.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 326107
sodium (5R,6Z)-6-[(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)methylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 23671165
Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 1480574
Methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
Propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067630
Propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067631
Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
(6-Ethylimidazo[2,1-b][1,3]benzothiazol-2-yl)-phenylmethanone
CID 14067628
Benzyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067634
Imidazo[2,1-b]benzothiazole-3-carboxylic acid ethyl ester
CID 10890197
Cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067632
Ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716429

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 14067620) is ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CCOC(=O)c1cn2c(n1)sc1cc(CC)ccc12.
What is the InChIKey of ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is BFDKOXYWMALANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-9-5-6-11-12(7-9)19-14-15-10(8-16(11)14)13(17)18-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 274.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 14067620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).