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

C16H20ClN3O2S — CID 135618463

IUPAC2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C16H20ClN3O2S/c1-10(2)7-8-18-14(21)9-13-15(22)20-16(23-13)19-12-5-3-11(17)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,18,21)(H,19,20,22)/t13-/m0/s1
InChIKeyIPJWHFIMQNMDPR-ZDUSSCGKSA-N
MW353.88 g/mol
LogP3.11
Rot. Bonds6

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

2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide (PubChem CID 135618463) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
PubChem CID135618463
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C16H20ClN3O2S/c1-10(2)7-8-18-14(21)9-13-15(22)20-16(23-13)19-12-5-3-11(17)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,18,21)(H,19,20,22)/t13-/m0/s1
InChIKeyIPJWHFIMQNMDPR-ZDUSSCGKSA-N
XLogP3.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.11
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-[(5R)-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
CID 135704799
2-[(5S)-2-(3-bromophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide
CID 135704874
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 135691905
2-[(5R)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135691883
4-[[2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]butanoic acid
CID 135417461
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135691888
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135473517
(5S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135956748
N-(3,4-dichlorophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725343
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135775065
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704948
N-(3-chloro-4-fluorophenyl)-2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704947

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide (CID 135618463) is 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)C[C@@H]1S/C(=N\c2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is IPJWHFIMQNMDPR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-10(2)7-8-18-14(21)9-13-15(22)20-16(23-13)19-12-5-3-11(17)4-6-12/h3-6,10,13H,7-9H2,1-2H3,(H,18,21)(H,19,20,22)/t13-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide?
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 353.88 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 135618463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).