N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C15H15F3N4O2S — CID 53344437

IUPACN-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)CC1S/C(=N\N=C\c2ccc(C(F)(F)F)cc2)N(C)C1=O
InChIInChI=1S/C15H15F3N4O2S/c1-19-12(23)7-11-13(24)22(2)14(25-11)21-20-8-9-3-5-10(6-4-9)15(16,17)18/h3-6,8,11H,7H2,1-2H3,(H,19,23)/b20-8+,21-14-
InChIKeyQWHGSVBAYBZHES-NERNVWDPSA-N
MW372.37 g/mol
LogP2.11
Rot. Bonds4

About N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 53344437) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
PubChem CID53344437
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC NameN-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
SMILESCNC(=O)CC1S/C(=N\N=C\c2ccc(C(F)(F)F)cc2)N(C)C1=O
InChIInChI=1S/C15H15F3N4O2S/c1-19-12(23)7-11-13(24)22(2)14(25-11)21-20-8-9-3-5-10(6-4-9)15(16,17)18/h3-6,8,11H,7H2,1-2H3,(H,19,23)/b20-8+,21-14-
InChIKeyQWHGSVBAYBZHES-NERNVWDPSA-N
XLogP2.11
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135684170
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42914987
2-[(2Z,5R)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 6978006
2-[(2E,5R)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 5497391
N-(3,5-dichlorophenyl)-2-[(5R)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 41242549
N-carbamoyl-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3155076
2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4986025
N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 18836507
N-methyl-2-[(5R)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1384539
2-[(2Z,5S)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6347839
2-[(2E,5R)-3-(4-hydroxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6860125
2-[(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 5348494

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 53344437) is N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is CNC(=O)CC1S/C(=N\N=C\c2ccc(C(F)(F)F)cc2)N(C)C1=O.
What is the InChIKey of N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QWHGSVBAYBZHES-NERNVWDPSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-19-12(23)7-11-13(24)22(2)14(25-11)21-20-8-9-3-5-10(6-4-9)15(16,17)18/h3-6,8,11H,7H2,1-2H3,(H,19,23)/b20-8+,21-14-.
What are the key properties of N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?
N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 372.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2Z)-3-methyl-4-oxo-2-[(E)-[4-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 53344437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).