1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one

C14H22N2OS — CID 116562249

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
SMILESCc1nc(CC(=O)CCC2CCCNC2)sc1C
InChIInChI=1S/C14H22N2OS/c1-10-11(2)18-14(16-10)8-13(17)6-5-12-4-3-7-15-9-12/h12,15H,3-9H2,1-2H3
InChIKeyYTWKETOTPILFLI-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.65
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one (PubChem CID 116562249) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
PubChem CID116562249
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one
SMILESCc1nc(CC(=O)CCC2CCCNC2)sc1C
InChIInChI=1S/C14H22N2OS/c1-10-11(2)18-14(16-10)8-13(17)6-5-12-4-3-7-15-9-12/h12,15H,3-9H2,1-2H3
InChIKeyYTWKETOTPILFLI-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
1-(1-methyltriazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 107061927
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
4-piperidin-3-yl-1-quinolin-2-ylbutan-2-one
CID 116562408
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylbutan-2-one
CID 116562397
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-piperidin-3-ylbutan-2-one
CID 116562409
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-piperidin-3-ylbutan-2-one
CID 116562412
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562301

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one (CID 116562249) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one is Cc1nc(CC(=O)CCC2CCCNC2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one?
The InChIKey is YTWKETOTPILFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-11(2)18-14(16-10)8-13(17)6-5-12-4-3-7-15-9-12/h12,15H,3-9H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one has a molecular weight of 266.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-3-ylbutan-2-one is sourced from PubChem (CID 116562249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).