1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C24H26N4O2S — CID 42961197

IUPAC1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-22(27-23-25-15-17-31-23)21-12-7-16-28(21)24(30)26-14-13-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,15,17,20-21H,7,12-14,16H2,(H,26,30)(H,25,27,29)
InChIKeyIQUMIGBDENIDFR-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.48
Rot. Bonds7

About 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 42961197) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID42961197
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N4O2S/c29-22(27-23-25-15-17-31-23)21-12-7-16-28(21)24(30)26-14-13-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,15,17,20-21H,7,12-14,16H2,(H,26,30)(H,25,27,29)
InChIKeyIQUMIGBDENIDFR-UHFFFAOYSA-N
XLogP4.48
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 42961197) is 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is IQUMIGBDENIDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-22(27-23-25-15-17-31-23)21-12-7-16-28(21)24(30)26-14-13-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,15,17,20-21H,7,12-14,16H2,(H,26,30)(H,25,27,29).
What are the key properties of 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 42961197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).