ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate

C12H10N2O2S — CID 132577655

IUPACethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
SMILESCCOC(=O)c1ncn2c1sc1ccccc12
InChIInChI=1S/C12H10N2O2S/c1-2-16-12(15)10-11-14(7-13-10)8-5-3-4-6-9(8)17-11/h3-7H,2H2,1H3
InChIKeyOAJVEXJWKXLJMM-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.73
Rot. Bonds2

About ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate

ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate (PubChem CID 132577655) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
PubChem CID132577655
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Nameethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate
SMILESCCOC(=O)c1ncn2c1sc1ccccc12
InChIInChI=1S/C12H10N2O2S/c1-2-16-12(15)10-11-14(7-13-10)8-5-3-4-6-9(8)17-11/h3-7H,2H2,1H3
InChIKeyOAJVEXJWKXLJMM-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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Related Compounds

ethyl 4-benzoyl-8-oxo-7-propan-2-yl-5-thia-1,7,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraene-10-carboxylate
CID 15499294
ethyl 9-thia-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene-11-carboxylate
CID 47079796
ethyl 8-methyl-7-oxo-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate
CID 14460551
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 7-oxo-3,10-dithia-1-azatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,8,11,13,15-hexaene-8-carboxylate
CID 24798179
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044085
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 5-(dipropylcarbamoyl)-4-ethylimidazo[1,5-a]quinoline-3-carboxylate
CID 127044882
ethyl 5-(benzotriazol-1-yl)thiadiazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate?
The IUPAC name of ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate (CID 132577655) is ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate.
What is the SMILES notation for ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate?
The canonical SMILES for ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate is CCOC(=O)c1ncn2c1sc1ccccc12.
What is the InChIKey of ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate?
The InChIKey is OAJVEXJWKXLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-16-12(15)10-11-14(7-13-10)8-5-3-4-6-9(8)17-11/h3-7H,2H2,1H3.
What are the key properties of ethyl imidazo[5,1-b][1,3]benzothiazole-3-carboxylate?
ethyl imidazo[5,1-b][1,3]benzothiazole-3-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[5,1-b][1,3]benzothiazole-3-carboxylate is sourced from PubChem (CID 132577655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).