2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

C13H16N2O2S — CID 79022413

IUPAC2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESCCCc1nc2sc3c(n2c1C(=O)O)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-2-5-8-11(12(16)17)15-9-6-3-4-7-10(9)18-13(15)14-8/h2-7H2,1H3,(H,16,17)
InChIKeyMIFIAWHHVJKXOZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.93
Rot. Bonds3

About 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (PubChem CID 79022413) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.

Molecular Properties

Compound Name2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
PubChem CID79022413
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESCCCc1nc2sc3c(n2c1C(=O)O)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-2-5-8-11(12(16)17)15-9-6-3-4-7-10(9)18-13(15)14-8/h2-7H2,1H3,(H,16,17)
InChIKeyMIFIAWHHVJKXOZ-UHFFFAOYSA-N
XLogP2.93
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The IUPAC name of 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (CID 79022413) is 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.
What is the SMILES notation for 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The canonical SMILES for 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is CCCc1nc2sc3c(n2c1C(=O)O)CCCC3.
What is the InChIKey of 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The InChIKey is MIFIAWHHVJKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-5-8-11(12(16)17)15-9-6-3-4-7-10(9)18-13(15)14-8/h2-7H2,1H3,(H,16,17).
What are the key properties of 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is sourced from PubChem (CID 79022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).