2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone

C13H17N3OS — CID 29262051

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)12(17)8-11-9-16-6-7-18-13(16)14-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyWTNXYENNZCFGSZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.20
Rot. Bonds2

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 29262051) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID29262051
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)12(17)8-11-9-16-6-7-18-13(16)14-11/h6-7,9-10H,2-5,8H2,1H3
InChIKeyWTNXYENNZCFGSZ-UHFFFAOYSA-N
XLogP2.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone (CID 29262051) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is WTNXYENNZCFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-2-4-15(5-3-10)12(17)8-11-9-16-6-7-18-13(16)14-11/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 263.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 29262051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).