N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C16H21N3O2S — CID 166435878

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NC(C)Cc2ccc(C)cc2C)S1
InChIInChI=1S/C16H21N3O2S/c1-9-4-5-12(10(2)6-9)7-11(3)18-14(20)8-13-15(21)19-16(17)22-13/h4-6,11,13H,7-8H2,1-3H3,(H,18,20)(H2,17,19,21)
InChIKeyMYKYTGWMAAMUDB-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 166435878) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID166435878
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)NC(C)Cc2ccc(C)cc2C)S1
InChIInChI=1S/C16H21N3O2S/c1-9-4-5-12(10(2)6-9)7-11(3)18-14(20)8-13-15(21)19-16(17)22-13/h4-6,11,13H,7-8H2,1-3H3,(H,18,20)(H2,17,19,21)
InChIKeyMYKYTGWMAAMUDB-UHFFFAOYSA-N
XLogP1.91
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imino-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 146674629
N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 175905532
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 86261442
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 154776623
N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119779210
N-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95617271
N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511243
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835
N-(3-chloro-4-methoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137318984
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 166435878) is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)NC(C)Cc2ccc(C)cc2C)S1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is MYKYTGWMAAMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9-4-5-12(10(2)6-9)7-11(3)18-14(20)8-13-15(21)19-16(17)22-13/h4-6,11,13H,7-8H2,1-3H3,(H,18,20)(H2,17,19,21).
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 166435878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).