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

C13H12N2O2S2 — CID 118971263

IUPACethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(SC)ccc12
InChIInChI=1S/C13H12N2O2S2/c1-3-17-12(16)9-7-15-10-5-4-8(18-2)6-11(10)19-13(15)14-9/h4-7H,3H2,1-2H3
InChIKeyAYDFWKZCYJQGIA-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.45
Rot. Bonds3

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

ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 118971263) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID118971263
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Nameethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(SC)ccc12
InChIInChI=1S/C13H12N2O2S2/c1-3-17-12(16)9-7-15-10-5-4-8(18-2)6-11(10)19-13(15)14-9/h4-7H,3H2,1-2H3
InChIKeyAYDFWKZCYJQGIA-UHFFFAOYSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-pyrrolidin-1-ylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118971249
ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 139878174
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067629
ethyl 2-(3-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 166039163
ethyl 5-methylsulfanylpyridine-2-carboxylate
CID 58540699
6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10243643
ethyl 2-[(2-tert-butylimidazo[2,1-b][1,3]benzothiazol-6-yl)amino]acetate;hydrochloride
CID 139804029
ethyl 2-trimethylsilylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 125474023
ethyl 2-bromo-4-methylsulfanylbenzoate
CID 91880743
ethyl 5-acetyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 107376184
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-1,5-dimethylpyrazole-3-carboxamide
CID 16952488

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 118971263) is ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CCOC(=O)c1cn2c(n1)sc1cc(SC)ccc12.
What is the InChIKey of ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is AYDFWKZCYJQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-3-17-12(16)9-7-15-10-5-4-8(18-2)6-11(10)19-13(15)14-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 292.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 118971263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).