ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate

C12H10N2O2S — CID 10890197

IUPACethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate
SMILESCCOC(=O)c1cnc2sc3ccccc3n12
InChIInChI=1S/C12H10N2O2S/c1-2-16-11(15)9-7-13-12-14(9)8-5-3-4-6-10(8)17-12/h3-7H,2H2,1H3
InChIKeyIGHQZJLCLOXIMF-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.73
Rot. Bonds2

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

ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate (PubChem CID 10890197) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate.

Molecular Properties

Compound Nameethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate
PubChem CID10890197
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Nameethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate
SMILESCCOC(=O)c1cnc2sc3ccccc3n12
InChIInChI=1S/C12H10N2O2S/c1-2-16-11(15)9-7-13-12-14(9)8-5-3-4-6-10(8)17-12/h3-7H,2H2,1H3
InChIKeyIGHQZJLCLOXIMF-UHFFFAOYSA-N
XLogP2.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate?
The IUPAC name of ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate (CID 10890197) is ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate.
What is the SMILES notation for ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate?
The canonical SMILES for ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate is CCOC(=O)c1cnc2sc3ccccc3n12.
What is the InChIKey of ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate?
The InChIKey is IGHQZJLCLOXIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-16-11(15)9-7-13-12-14(9)8-5-3-4-6-10(8)17-12/h3-7H,2H2,1H3.
What are the key properties of ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate?
ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate has a molecular weight of 246.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl imidazo[2,1-b][1,3]benzothiazole-1-carboxylate is sourced from PubChem (CID 10890197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).