5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one

C14H16N2OS — CID 3039606

IUPAC5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)SC1c1ccccc1
InChIInChI=1S/C14H16N2OS/c17-13-12(11-7-3-1-4-8-11)18-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyNIBLTJOIXAMXHR-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.84
Rot. Bonds1

About 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one

5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 3039606) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID3039606
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)SC1c1ccccc1
InChIInChI=1S/C14H16N2OS/c17-13-12(11-7-3-1-4-8-11)18-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyNIBLTJOIXAMXHR-UHFFFAOYSA-N
XLogP2.84
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
5H-Thiazolo(3,2-a)pyrimidin-5-one, 2,3,6,7-tetrahydro-7-phenyl-
CID 3067452
(2Z)-3-ethyl-2-(ethylimino)-4-oxo-N-(2-phenylethyl)-1,3-thiazinane-6-carboxamide
CID 661614
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
1-(2-Ethylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
CID 5183504
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 2796389
7-benzyl-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135439007
2-(4-Fluorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4568719
6-amino-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-5-phenyl-4(1H)-pyrimidinone
CID 135447974
4-Thiazolidinone, 2-imino-5-phenyl-
CID 220172
2,2-diphenyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
CID 356018
4(5H)-Thiazolone, 5-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)-
CID 3039603

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one (CID 3039606) is 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)SC1c1ccccc1.
What is the InChIKey of 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is NIBLTJOIXAMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-13-12(11-7-3-1-4-8-11)18-14(15-13)16-9-5-2-6-10-16/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one?
5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 260.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 3039606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).