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

C16H16N2O2S — CID 14067632

IUPACcyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESO=C(OC1CCCCC1)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C16H16N2O2S/c19-15(20-11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)21-16(18)17-12/h4-5,8-11H,1-3,6-7H2
InChIKeyCFEASAXEGGMTSQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.04
Rot. Bonds2

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

cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 14067632) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID14067632
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Namecyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESO=C(OC1CCCCC1)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C16H16N2O2S/c19-15(20-11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)21-16(18)17-12/h4-5,8-11H,1-3,6-7H2
InChIKeyCFEASAXEGGMTSQ-UHFFFAOYSA-N
XLogP4.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 14067632) is cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is O=C(OC1CCCCC1)c1cn2c(n1)sc1ccccc12.
What is the InChIKey of cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is CFEASAXEGGMTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(20-11-6-2-1-3-7-11)12-10-18-13-8-4-5-9-14(13)21-16(18)17-12/h4-5,8-11H,1-3,6-7H2.
What are the key properties of cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 14067632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).