2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one

C23H28N4O3S — CID 67241091

IUPAC2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C(NC2CCN(c3ccccn3)CC2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C23H28N4O3S/c1-23(2,3)27-22(28)20(21(31(27,29)30)17-9-5-4-6-10-17)25-18-12-15-26(16-13-18)19-11-7-8-14-24-19/h4-11,14,18,25H,12-13,15-16H2,1-3H3
InChIKeyZBYYWVJDDCMYHI-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.98
Rot. Bonds4

About 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one

2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one (PubChem CID 67241091) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one
PubChem CID67241091
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one
SMILESCC(C)(C)N1C(=O)C(NC2CCN(c3ccccn3)CC2)=C(c2ccccc2)S1(=O)=O
InChIInChI=1S/C23H28N4O3S/c1-23(2,3)27-22(28)20(21(31(27,29)30)17-9-5-4-6-10-17)25-18-12-15-26(16-13-18)19-11-7-8-14-24-19/h4-11,14,18,25H,12-13,15-16H2,1-3H3
InChIKeyZBYYWVJDDCMYHI-UHFFFAOYSA-N
XLogP2.98
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one with MolForge

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Related Compounds

2-tert-butyl-4-[(1-methylpiperidin-4-yl)amino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one
CID 67242068
2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one
CID 91274374
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 134499996
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
CID 43782400
1-(1-pyridin-2-ylpiperidin-4-yl)oxypyridin-2-one
CID 140566386
1-(1-amino-2-methylpropan-2-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea;2,2,2-trifluoroacetic acid
CID 68534558
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one?
The IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one (CID 67241091) is 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one.
What is the SMILES notation for 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one?
The canonical SMILES for 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one is CC(C)(C)N1C(=O)C(NC2CCN(c3ccccn3)CC2)=C(c2ccccc2)S1(=O)=O.
What is the InChIKey of 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one?
The InChIKey is ZBYYWVJDDCMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-23(2,3)27-22(28)20(21(31(27,29)30)17-9-5-4-6-10-17)25-18-12-15-26(16-13-18)19-11-7-8-14-24-19/h4-11,14,18,25H,12-13,15-16H2,1-3H3.
What are the key properties of 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one?
2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one has a molecular weight of 440.57 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one is sourced from PubChem (CID 67241091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).