2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C15H19N3OS2 — CID 91840506

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCCC2c2nccs2)c(C)s1
InChIInChI=1S/C15H19N3OS2/c1-10-12(17-11(2)21-10)9-14(19)18-7-4-3-5-13(18)15-16-6-8-20-15/h6,8,13H,3-5,7,9H2,1-2H3
InChIKeyJCCHFTQFNUOVMB-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.51
Rot. Bonds3

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 91840506) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID91840506
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCCC2c2nccs2)c(C)s1
InChIInChI=1S/C15H19N3OS2/c1-10-12(17-11(2)21-10)9-14(19)18-7-4-3-5-13(18)15-16-6-8-20-15/h6,8,13H,3-5,7,9H2,1-2H3
InChIKeyJCCHFTQFNUOVMB-UHFFFAOYSA-N
XLogP3.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 86957499
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95770097
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 91840506) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCCCC2c2nccs2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is JCCHFTQFNUOVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-12(17-11(2)21-10)9-14(19)18-7-4-3-5-13(18)15-16-6-8-20-15/h6,8,13H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 321.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91840506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).