methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate

C17H11ClN2O2S — CID 6623350

IUPACmethyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H11ClN2O2S/c1-22-16(21)11-4-7-14-15(8-11)23-17-19-13(9-20(14)17)10-2-5-12(18)6-3-10/h2-9H,1H3
InChIKeyYZNUYORNNCXCAV-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.66
Rot. Bonds2

About methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate

methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate (PubChem CID 6623350) has the molecular formula C17H11ClN2O2S and a molecular weight of 342.81 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
PubChem CID6623350
Molecular FormulaC17H11ClN2O2S
Molecular Weight342.81 g/mol
Exact Mass342.02
IUPAC Namemethyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C17H11ClN2O2S/c1-22-16(21)11-4-7-14-15(8-11)23-17-19-13(9-20(14)17)10-2-5-12(18)6-3-10/h2-9H,1H3
InChIKeyYZNUYORNNCXCAV-UHFFFAOYSA-N
XLogP4.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate (CID 6623350) is methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate is COC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
The InChIKey is YZNUYORNNCXCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2S/c1-22-16(21)11-4-7-14-15(8-11)23-17-19-13(9-20(14)17)10-2-5-12(18)6-3-10/h2-9H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate?
methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate has a molecular weight of 342.81 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylate is sourced from PubChem (CID 6623350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).