2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one

C23H28N4O3S — CID 91274374

IUPAC2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one
SMILESCC(C)(C)N1C(=O)/C(=N\C2CCN(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/h4-11,14,18,21H,12-13,15-16H2,1-3H3/b25-20-
InChIKeyOGCLTSATVDIONG-QQTULTPQSA-N
MW440.57 g/mol
LogP3.20
Rot. Bonds3

About 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one

2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one (PubChem CID 91274374) 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)imino-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one
PubChem CID91274374
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)imino-1,2-thiazolidin-3-one
SMILESCC(C)(C)N1C(=O)/C(=N\C2CCN(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/h4-11,14,18,21H,12-13,15-16H2,1-3H3/b25-20-
InChIKeyOGCLTSATVDIONG-QQTULTPQSA-N
XLogP3.20
TPSA82.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1,1-dioxo-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]-1,2-thiazol-3-one
CID 67241091
4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]imino-1,1-dioxo-5-phenyl-2-propan-2-yl-1,2-thiazolidin-3-one
CID 90814960
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-pyridin-2-ylpiperidin-4-yl)oxypyridin-2-one
CID 140566386
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
N-(3-methoxy-3-methylbutyl)-1-pyridin-2-ylpiperidin-4-amine
CID 106675135
3-tert-butyl-6-pyridin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 174209230
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
1-(1-amino-2-methylpropan-2-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea;2,2,2-trifluoroacetic acid
CID 68534558
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one?
The IUPAC name of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one (CID 91274374) is 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one?
The canonical SMILES for 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one is CC(C)(C)N1C(=O)/C(=N\C2CCN(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)imino-1,2-thiazolidin-3-one?
The InChIKey is OGCLTSATVDIONG-QQTULTPQSA-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/h4-11,14,18,21H,12-13,15-16H2,1-3H3/b25-20-.
What are the key properties of 2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one?
2-tert-butyl-1,1-dioxo-5-phenyl-4-(1-pyridin-2-ylpiperidin-4-yl)imino-1,2-thiazolidin-3-one has a molecular weight of 440.57 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 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)imino-1,2-thiazolidin-3-one is sourced from PubChem (CID 91274374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).