2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine

C21H24N4O2S — CID 119123222

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine
SMILESO=S1(=O)CCCN1CCNCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N4O2S/c26-28(27)15-7-13-24(28)14-12-22-16-19-17-25(20-10-5-2-6-11-20)23-21(19)18-8-3-1-4-9-18/h1-6,8-11,17,22H,7,12-16H2
InChIKeyCLYXYWBBLUOWCQ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.66
Rot. Bonds7

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine (PubChem CID 119123222) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine
PubChem CID119123222
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine
SMILESO=S1(=O)CCCN1CCNCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H24N4O2S/c26-28(27)15-7-13-24(28)14-12-22-16-19-17-25(20-10-5-2-6-11-20)23-21(19)18-8-3-1-4-9-18/h1-6,8-11,17,22H,7,12-16H2
InChIKeyCLYXYWBBLUOWCQ-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
CID 71688046
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 60604856
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-propan-2-ylthiourea
CID 17381877
3-(1,3-diphenylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 46295921
4-[[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2,2-dimethylbutanoic acid
CID 122126819

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine (CID 119123222) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine is O=S1(=O)CCCN1CCNCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is CLYXYWBBLUOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27)15-7-13-24(28)14-12-22-16-19-17-25(20-10-5-2-6-11-20)23-21(19)18-8-3-1-4-9-18/h1-6,8-11,17,22H,7,12-16H2.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 396.52 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119123222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).