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

C11H8N2O2S — CID 14067629

IUPACmethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C11H8N2O2S/c1-15-10(14)7-6-13-8-4-2-3-5-9(8)16-11(13)12-7/h2-6H,1H3
InChIKeyRWSOTXIEORKMLT-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.34
Rot. Bonds1

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

methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 14067629) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID14067629
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Namemethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C11H8N2O2S/c1-15-10(14)7-6-13-8-4-2-3-5-9(8)16-11(13)12-7/h2-6H,1H3
InChIKeyRWSOTXIEORKMLT-UHFFFAOYSA-N
XLogP2.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 122367514
1-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-iodopropan-1-one
CID 134578152
1-(4-benzoylpiperazin-1-yl)-2-imidazo[2,1-b][1,3]benzothiazol-2-ylethane-1,2-dione
CID 155519442
methyl 7,9-dioxo-17-thia-2,4,8,10-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,11,13,15-hexaene-5-carboxylate
CID 23852161
N-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)-4-methoxybenzamide
CID 1480560
methyl pyrazino[1,2-a]indole-3-carboxylate
CID 145445802
methyl 5-(1-benzothiophen-2-yl)pyrimido[1,6-a]indole-3-carboxylate
CID 11523319
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067
2-(2-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209602
N-methylsulfanyl-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 145044061
[4-[(3,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]benzothiazol-2-ylmethanone
CID 24735285
8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10443929

Frequently Asked Questions

What is the IUPAC name of methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 14067629) is methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is COC(=O)c1cn2c(n1)sc1ccccc12.
What is the InChIKey of methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is RWSOTXIEORKMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c1-15-10(14)7-6-13-8-4-2-3-5-9(8)16-11(13)12-7/h2-6H,1H3.
What are the key properties of methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 232.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 14067629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).