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

C18H20N4O3S — CID 97138883

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C18H20N4O3S/c1-20(15(23)9-14-17(24)22(3)18(25)21(14)2)10-13-11-26-16(19-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyZSCGBCXPSSTZOV-AWEZNQCLSA-N
MW372.45 g/mol
LogP2.05
Rot. Bonds5

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

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 97138883) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID97138883
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C18H20N4O3S/c1-20(15(23)9-14-17(24)22(3)18(25)21(14)2)10-13-11-26-16(19-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t14-/m0/s1
InChIKeyZSCGBCXPSSTZOV-AWEZNQCLSA-N
XLogP2.05
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
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 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (CID 97138883) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is ZSCGBCXPSSTZOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-20(15(23)9-14-17(24)22(3)18(25)21(14)2)10-13-11-26-16(19-13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 97138883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).