2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide

C15H21N5O3S — CID 133114560

IUPAC2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2nccs2)C[C@H]1NC(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C15H21N5O3S/c1-2-3-10-6-20(15-16-4-5-24-15)7-11(10)17-12(21)8-19-9-13(22)18-14(19)23/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,21)(H,18,22,23)/t10-,11-/m1/s1
InChIKeyHQTPTNNARGICJU-GHMZBOCLSA-N
MW351.43 g/mol
LogP0.42
Rot. Bonds6

About 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide

2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 133114560) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID133114560
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(c2nccs2)C[C@H]1NC(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C15H21N5O3S/c1-2-3-10-6-20(15-16-4-5-24-15)7-11(10)17-12(21)8-19-9-13(22)18-14(19)23/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,21)(H,18,22,23)/t10-,11-/m1/s1
InChIKeyHQTPTNNARGICJU-GHMZBOCLSA-N
XLogP0.42
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide (CID 133114560) is 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(c2nccs2)C[C@H]1NC(=O)CN1CC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is HQTPTNNARGICJU-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-2-3-10-6-20(15-16-4-5-24-15)7-11(10)17-12(21)8-19-9-13(22)18-14(19)23/h4-5,10-11H,2-3,6-9H2,1H3,(H,17,21)(H,18,22,23)/t10-,11-/m1/s1.
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).