6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

C23H23N5O4S — CID 135369388

IUPAC6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESO=C(NCc1ccccc1Oc1ccc2c(c1)sc1ncc(C(=O)O)n12)NC1CCNCC1
InChIInChI=1S/C23H23N5O4S/c29-21(30)18-13-26-23-28(18)17-6-5-16(11-20(17)33-23)32-19-4-2-1-3-14(19)12-25-22(31)27-15-7-9-24-10-8-15/h1-6,11,13,15,24H,7-10,12H2,(H,29,30)(H2,25,27,31)
InChIKeyNGLPJGDGWRNQMW-UHFFFAOYSA-N
MW465.54 g/mol
LogP3.59
Rot. Bonds6

About 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (PubChem CID 135369388) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
PubChem CID135369388
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESO=C(NCc1ccccc1Oc1ccc2c(c1)sc1ncc(C(=O)O)n12)NC1CCNCC1
InChIInChI=1S/C23H23N5O4S/c29-21(30)18-13-26-23-28(18)17-6-5-16(11-20(17)33-23)32-19-4-2-1-3-14(19)12-25-22(31)27-15-7-9-24-10-8-15/h1-6,11,13,15,24H,7-10,12H2,(H,29,30)(H2,25,27,31)
InChIKeyNGLPJGDGWRNQMW-UHFFFAOYSA-N
XLogP3.59
TPSA116.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The IUPAC name of 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (CID 135369388) is 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.
What is the SMILES notation for 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The canonical SMILES for 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is O=C(NCc1ccccc1Oc1ccc2c(c1)sc1ncc(C(=O)O)n12)NC1CCNCC1.
What is the InChIKey of 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The InChIKey is NGLPJGDGWRNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c29-21(30)18-13-26-23-28(18)17-6-5-16(11-20(17)33-23)32-19-4-2-1-3-14(19)12-25-22(31)27-15-7-9-24-10-8-15/h1-6,11,13,15,24H,7-10,12H2,(H,29,30)(H2,25,27,31).
What are the key properties of 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid has a molecular weight of 465.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(piperidin-4-ylcarbamoylamino)methyl]phenoxy]imidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is sourced from PubChem (CID 135369388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).