1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one

C12H16N2O2S — CID 79549025

IUPAC1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cscn1
InChIInChI=1S/C12H16N2O2S/c1-9(15)6-10-4-2-3-5-14(10)12(16)11-7-17-8-13-11/h7-8,10H,2-6H2,1H3
InChIKeyUCVNFCLVQRXDFY-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one

1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one (PubChem CID 79549025) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
PubChem CID79549025
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1cscn1
InChIInChI=1S/C12H16N2O2S/c1-9(15)6-10-4-2-3-5-14(10)12(16)11-7-17-8-13-11/h7-8,10H,2-6H2,1H3
InChIKeyUCVNFCLVQRXDFY-UHFFFAOYSA-N
XLogP2.12
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541640
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
1-[1-(2-methyl-1,3-thiazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553449
1-[1-(5-chloropyridine-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549533
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
1-[1-(1,3-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 102801589
1-[1-(3-ethyl-1-methylpyrazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 102810537

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one (CID 79549025) is 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1cscn1.
What is the InChIKey of 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one?
The InChIKey is UCVNFCLVQRXDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(15)6-10-4-2-3-5-14(10)12(16)11-7-17-8-13-11/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one?
1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one has a molecular weight of 252.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).