1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone

C15H24N2OS — CID 159478562

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCc1nc(C)c(C(=O)C[C@@H]2CCCN(C(C)C)C2)s1
InChIInChI=1S/C15H24N2OS/c1-10(2)17-7-5-6-13(9-17)8-14(18)15-11(3)16-12(4)19-15/h10,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyLWRVLRZGKRKLLN-ZDUSSCGKSA-N
MW280.44 g/mol
LogP3.45
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (PubChem CID 159478562) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
PubChem CID159478562
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCc1nc(C)c(C(=O)C[C@@H]2CCCN(C(C)C)C2)s1
InChIInChI=1S/C15H24N2OS/c1-10(2)17-7-5-6-13(9-17)8-14(18)15-11(3)16-12(4)19-15/h10,13H,5-9H2,1-4H3/t13-/m0/s1
InChIKeyLWRVLRZGKRKLLN-ZDUSSCGKSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-Cyclohexyl-1-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 144350375
3-(Dimethylamino)-1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-one
CID 10538555
1-(Dimethyl-1,3-thiazol-5-yl)-2-methylpropan-1-one
CID 20692478
1-(2-Cyclohexyl-4-methyl-1,3-thiazol-5-yl)ethanone
CID 57424343
1-(4-Tert-butyl-2-methyl-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
CID 57976633
1-(2-Cyclohexyl-4-methyl-1,3-thiazol-5-yl)-3-(dimethylamino)prop-2-en-1-one
CID 67349266
1-[2-(2-Aminoethyl)-4-tert-butyl-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
CID 69272917
1-(4-Methyl-2-(1-methylpiperidin-4-yl)thiazol-5-yl)ethanone
CID 69669593
1-[4-Methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanone;hydrobromide
CID 69673160
1-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-methylbutan-1-one
CID 108061804
5-methyl-2-(1-methylpiperidin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 118531717
1-[4-(2-Cyclopentylethyl)-2-methyl-1,3-thiazol-5-yl]ethanone;ethane
CID 143933431

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (CID 159478562) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is Cc1nc(C)c(C(=O)C[C@@H]2CCCN(C(C)C)C2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The InChIKey is LWRVLRZGKRKLLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(2)17-7-5-6-13(9-17)8-14(18)15-11(3)16-12(4)19-15/h10,13H,5-9H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone has a molecular weight of 280.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is sourced from PubChem (CID 159478562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).