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

C13H12N2O2S — CID 638597

IUPACethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(C)ccc12
InChIInChI=1S/C13H12N2O2S/c1-3-17-12(16)9-7-15-10-5-4-8(2)6-11(10)18-13(15)14-9/h4-7H,3H2,1-2H3
InChIKeyDHUOZZWPEJRSGY-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.03
Rot. Bonds2

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

ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 638597) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID638597
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Nameethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)sc1cc(C)ccc12
InChIInChI=1S/C13H12N2O2S/c1-3-17-12(16)9-7-15-10-5-4-8(2)6-11(10)18-13(15)14-9/h4-7H,3H2,1-2H3
InChIKeyDHUOZZWPEJRSGY-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 638597) is ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CCOC(=O)c1cn2c(n1)sc1cc(C)ccc12.
What is the InChIKey of ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is DHUOZZWPEJRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-3-17-12(16)9-7-15-10-5-4-8(2)6-11(10)18-13(15)14-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 260.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 638597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).