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

C16H12N2O2S2 — CID 139878174

IUPACethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)sc1nc(-c3ccsc3)cn12
InChIInChI=1S/C16H12N2O2S2/c1-2-20-15(19)10-3-4-13-14(7-10)22-16-17-12(8-18(13)16)11-5-6-21-9-11/h3-9H,2H2,1H3
InChIKeyUQIBVKNXIVQPRE-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.45
Rot. Bonds3

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

ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate (PubChem CID 139878174) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate
PubChem CID139878174
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC Nameethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)sc1nc(-c3ccsc3)cn12
InChIInChI=1S/C16H12N2O2S2/c1-2-20-15(19)10-3-4-13-14(7-10)22-16-17-12(8-18(13)16)11-5-6-21-9-11/h3-9H,2H2,1H3
InChIKeyUQIBVKNXIVQPRE-UHFFFAOYSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-bromophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 166039163
ethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
CID 177120604
N-ethyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523510
2-(3-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571656
5-amino-1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]pentan-1-one
CID 167596733
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
ethyl 6-methylsulfanylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118971263
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The IUPAC name of ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate (CID 139878174) is ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate is CCOC(=O)c1ccc2c(c1)sc1nc(-c3ccsc3)cn12.
What is the InChIKey of ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The InChIKey is UQIBVKNXIVQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c1-2-20-15(19)10-3-4-13-14(7-10)22-16-17-12(8-18(13)16)11-5-6-21-9-11/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole-6-carboxylate is sourced from PubChem (CID 139878174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).