1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one

C12H18N2OS — CID 116559994

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
SMILESCc1csc(CC(=O)CC2CCNCC2)n1
InChIInChI=1S/C12H18N2OS/c1-9-8-16-12(14-9)7-11(15)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyJIPPGKCSWGXCMG-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.95
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one

1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one (PubChem CID 116559994) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
PubChem CID116559994
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
SMILESCc1csc(CC(=O)CC2CCNCC2)n1
InChIInChI=1S/C12H18N2OS/c1-9-8-16-12(14-9)7-11(15)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyJIPPGKCSWGXCMG-UHFFFAOYSA-N
XLogP1.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116588403
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
CID 131842856
CID 131842856
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
CID 116558009

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one (CID 116559994) is 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one is Cc1csc(CC(=O)CC2CCNCC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is JIPPGKCSWGXCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-8-16-12(14-9)7-11(15)6-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 238.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 116559994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).