2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

C17H26N4OS — CID 110250292

IUPAC2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCc1sc2c(C3CCCN(C(=O)CN(C)C)C3)nc(C)n2c1C
InChIInChI=1S/C17H26N4OS/c1-11-12(2)23-17-16(18-13(3)21(11)17)14-7-6-8-20(9-14)15(22)10-19(4)5/h14H,6-10H2,1-5H3
InChIKeyYOIMWYFOVSNRNJ-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.59
Rot. Bonds3

About 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (PubChem CID 110250292) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
PubChem CID110250292
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCc1sc2c(C3CCCN(C(=O)CN(C)C)C3)nc(C)n2c1C
InChIInChI=1S/C17H26N4OS/c1-11-12(2)23-17-16(18-13(3)21(11)17)14-7-6-8-20(9-14)15(22)10-19(4)5/h14H,6-10H2,1-5H3
InChIKeyYOIMWYFOVSNRNJ-UHFFFAOYSA-N
XLogP2.59
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (CID 110250292) is 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is Cc1sc2c(C3CCCN(C(=O)CN(C)C)C3)nc(C)n2c1C.
What is the InChIKey of 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The InChIKey is YOIMWYFOVSNRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-11-12(2)23-17-16(18-13(3)21(11)17)14-7-6-8-20(9-14)15(22)10-19(4)5/h14H,6-10H2,1-5H3.
What are the key properties of 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone has a molecular weight of 334.49 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110250292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).