propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate

C13H12N2O2S — CID 14067631

IUPACpropan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCC(C)OC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C13H12N2O2S/c1-8(2)17-12(16)9-7-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-8H,1-2H3
InChIKeyKYPVMNSUDPXBFV-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.11
Rot. Bonds2

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

propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 14067631) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID14067631
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Namepropan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCC(C)OC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C13H12N2O2S/c1-8(2)17-12(16)9-7-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-8H,1-2H3
InChIKeyKYPVMNSUDPXBFV-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 14067631) is propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CC(C)OC(=O)c1cn2c(n1)sc1ccccc12.
What is the InChIKey of propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is KYPVMNSUDPXBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8(2)17-12(16)9-7-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-8H,1-2H3.
What are the key properties of propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 260.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 14067631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).