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

C18H25N3O2S — CID 135704799

IUPAC2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)cc(/N=C2/NC(=O)[C@@H](CC(=O)NCCC(C)C)S2)c1
InChIInChI=1S/C18H25N3O2S/c1-11(2)5-6-19-16(22)10-15-17(23)21-18(24-15)20-14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,22)(H,20,21,23)/t15-/m1/s1
InChIKeySHZMWJQNNRAWEG-OAHLLOKOSA-N
MW347.48 g/mol
LogP3.07
Rot. Bonds6

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

2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide (PubChem CID 135704799) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
PubChem CID135704799
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)cc(/N=C2/NC(=O)[C@@H](CC(=O)NCCC(C)C)S2)c1
InChIInChI=1S/C18H25N3O2S/c1-11(2)5-6-19-16(22)10-15-17(23)21-18(24-15)20-14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,22)(H,20,21,23)/t15-/m1/s1
InChIKeySHZMWJQNNRAWEG-OAHLLOKOSA-N
XLogP3.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
CID 135618463
2-[(5S)-2-(3-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
CID 135704874
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135441909
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 135691905
N-(2,5-dimethylphenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704953
2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135691620
N-(3-chloro-4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135834009
4-[[2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 135417461
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135473517
N-(2,3-dimethylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 136704992
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363
2-[(5R)-2-(3,4-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135833982

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide (CID 135704799) is 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide is Cc1cc(C)cc(/N=C2/NC(=O)[C@@H](CC(=O)NCCC(C)C)S2)c1.
What is the InChIKey of 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is SHZMWJQNNRAWEG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11(2)5-6-19-16(22)10-15-17(23)21-18(24-15)20-14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,22)(H,20,21,23)/t15-/m1/s1.
What are the key properties of 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 135704799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).