N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C18H17N3O2S — CID 1384539

IUPACN-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O2S/c1-19-16(22)12-15-17(23)21(14-10-6-3-7-11-14)18(24-15)20-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1
InChIKeyDDPHUBVROHUFDF-MEUCICPISA-N
MW339.42 g/mol
LogP2.96
Rot. Bonds4

About N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1384539) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID1384539
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H17N3O2S/c1-19-16(22)12-15-17(23)21(14-10-6-3-7-11-14)18(24-15)20-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1
InChIKeyDDPHUBVROHUFDF-MEUCICPISA-N
XLogP2.96
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
N-methyl-2-[(5S)-4-oxo-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-5-yl]acetamide
CID 28748359
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-[(5S)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 7176491
N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1203904
2-[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 4546410
2-[3-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 42954767
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 1384539) is N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is CNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DDPHUBVROHUFDF-MEUCICPISA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-19-16(22)12-15-17(23)21(14-10-6-3-7-11-14)18(24-15)20-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H,19,22)/b20-18-/t15-/m1/s1.
What are the key properties of N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1384539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).