4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one

C21H22N4O2S — CID 17493626

IUPAC4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-16-5-7-17(8-6-16)18-15-28-21(27)25(18)14-20(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,15H,10-14H2,1H3
InChIKeyRNQFQZOLYLBPTF-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.63
Rot. Bonds4

About 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one

4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 17493626) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID17493626
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESCc1ccc(-c2csc(=O)n2CC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H22N4O2S/c1-16-5-7-17(8-6-16)18-15-28-21(27)25(18)14-20(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,15H,10-14H2,1H3
InChIKeyRNQFQZOLYLBPTF-UHFFFAOYSA-N
XLogP2.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one with MolForge

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Related Compounds

1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
4-methyl-1,1-dioxo-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-one
CID 46338115
ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate
CID 12004856
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
6-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,4-benzoxazin-2-one
CID 39068797
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N,4-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2953239
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 5307495
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one (CID 17493626) is 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one is Cc1ccc(-c2csc(=O)n2CC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is RNQFQZOLYLBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-16-5-7-17(8-6-16)18-15-28-21(27)25(18)14-20(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,15H,10-14H2,1H3.
What are the key properties of 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one?
4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 394.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 17493626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).