2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

C16H23N5O3S — CID 91830066

IUPAC2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCc2csc(N3CCCC3)n2)C1=O
InChIInChI=1S/C16H23N5O3S/c1-2-5-21-14(23)12(19-15(21)24)8-13(22)17-9-11-10-25-16(18-11)20-6-3-4-7-20/h10,12H,2-9H2,1H3,(H,17,22)(H,19,24)
InChIKeyVLSRRRVIHPRZJI-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.08
Rot. Bonds7

About 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 91830066) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID91830066
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)NCc2csc(N3CCCC3)n2)C1=O
InChIInChI=1S/C16H23N5O3S/c1-2-5-21-14(23)12(19-15(21)24)8-13(22)17-9-11-10-25-16(18-11)20-6-3-4-7-20/h10,12H,2-9H2,1H3,(H,17,22)(H,19,24)
InChIKeyVLSRRRVIHPRZJI-UHFFFAOYSA-N
XLogP1.08
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.08
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-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 91830066) is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is CCCN1C(=O)NC(CC(=O)NCc2csc(N3CCCC3)n2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is VLSRRRVIHPRZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-2-5-21-14(23)12(19-15(21)24)8-13(22)17-9-11-10-25-16(18-11)20-6-3-4-7-20/h10,12H,2-9H2,1H3,(H,17,22)(H,19,24).
What are the key properties of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 91830066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).