3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C17H18N4O3S — CID 95875737

IUPAC3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C17H18N4O3S/c1-21(14(22)8-7-13-15(23)20-17(24)19-13)9-12-10-25-16(18-12)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H2,19,20,23,24)/t13-/m0/s1
InChIKeyOWVWRPWNWSYLET-ZDUSSCGKSA-N
MW358.42 g/mol
LogP1.76
Rot. Bonds6

About 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 95875737) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID95875737
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C17H18N4O3S/c1-21(14(22)8-7-13-15(23)20-17(24)19-13)9-12-10-25-16(18-12)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H2,19,20,23,24)/t13-/m0/s1
InChIKeyOWVWRPWNWSYLET-ZDUSSCGKSA-N
XLogP1.76
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 95875737) is 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is OWVWRPWNWSYLET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21(14(22)8-7-13-15(23)20-17(24)19-13)9-12-10-25-16(18-12)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H2,19,20,23,24)/t13-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 95875737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).