cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C16H21N3OS — CID 92564144

IUPACcyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1csc2c(C3CCN(C(=O)C4CC4)CC3)nc(C)n12
InChIInChI=1S/C16H21N3OS/c1-10-9-21-16-14(17-11(2)19(10)16)12-5-7-18(8-6-12)15(20)13-3-4-13/h9,12-13H,3-8H2,1-2H3
InChIKeyNEBQEXIXUZYELQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.13
Rot. Bonds2

About cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92564144) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92564144
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Namecyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1csc2c(C3CCN(C(=O)C4CC4)CC3)nc(C)n12
InChIInChI=1S/C16H21N3OS/c1-10-9-21-16-14(17-11(2)19(10)16)12-5-7-18(8-6-12)15(20)13-3-4-13/h9,12-13H,3-8H2,1-2H3
InChIKeyNEBQEXIXUZYELQ-UHFFFAOYSA-N
XLogP3.13
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92564160
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110216662
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110216666
2-(Dimethylamino)-1-[3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 110250292
5-[3-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 46956112
1-[4-[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 46956100
3-Imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 46956101
4-Imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 46956106
1-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 46956113
1-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
CID 46956114
3-[4-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 46956115
1-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 46956116

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92564144) is cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1csc2c(C3CCN(C(=O)C4CC4)CC3)nc(C)n12.
What is the InChIKey of cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is NEBQEXIXUZYELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-9-21-16-14(17-11(2)19(10)16)12-5-7-18(8-6-12)15(20)13-3-4-13/h9,12-13H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 303.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92564144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).