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

C14H21N5O3S — CID 124750855

IUPAC2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)NCc2cnc(SC)n2C)C1=O
InChIInChI=1S/C14H21N5O3S/c1-4-5-19-12(21)10(17-13(19)22)6-11(20)15-7-9-8-16-14(23-3)18(9)2/h8,10H,4-7H2,1-3H3,(H,15,20)(H,17,22)/t10-/m0/s1
InChIKeyFAXZXABSCUDCRQ-JTQLQIEISA-N
MW339.42 g/mol
LogP0.48
Rot. Bonds7

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

2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide (PubChem CID 124750855) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide
PubChem CID124750855
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)NCc2cnc(SC)n2C)C1=O
InChIInChI=1S/C14H21N5O3S/c1-4-5-19-12(21)10(17-13(19)22)6-11(20)15-7-9-8-16-14(23-3)18(9)2/h8,10H,4-7H2,1-3H3,(H,15,20)(H,17,22)/t10-/m0/s1
InChIKeyFAXZXABSCUDCRQ-JTQLQIEISA-N
XLogP0.48
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.48
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-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide (CID 124750855) is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide is CCCN1C(=O)N[C@@H](CC(=O)NCc2cnc(SC)n2C)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide?
The InChIKey is FAXZXABSCUDCRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-4-5-19-12(21)10(17-13(19)22)6-11(20)15-7-9-8-16-14(23-3)18(9)2/h8,10H,4-7H2,1-3H3,(H,15,20)(H,17,22)/t10-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide?
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 124750855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).