N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

C15H12Cl2N4O2S2 — CID 3975247

IUPACN-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1nccs1
InChIInChI=1S/C15H12Cl2N4O2S2/c1-21-13(23)11(25-15(21)20-14-18-4-5-24-14)7-12(22)19-8-2-3-9(16)10(17)6-8/h2-6,11H,7H2,1H3,(H,19,22)
InChIKeySTTZIQBYEZLAPC-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.04
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide

N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3975247) has the molecular formula C15H12Cl2N4O2S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID3975247
Molecular FormulaC15H12Cl2N4O2S2
Molecular Weight415.33 g/mol
Exact Mass413.98
IUPAC NameN-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESCN1C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1nccs1
InChIInChI=1S/C15H12Cl2N4O2S2/c1-21-13(23)11(25-15(21)20-14-18-4-5-24-14)7-12(22)19-8-2-3-9(16)10(17)6-8/h2-6,11H,7H2,1H3,(H,19,22)
InChIKeySTTZIQBYEZLAPC-UHFFFAOYSA-N
XLogP4.04
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3269032
N-(4-ethylphenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 4311304
2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4986025
N-(2,4-dimethylphenyl)-2-[(2E)-3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 6050944
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
N-(3,5-dimethylphenyl)-2-[(2E)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21368980
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 42914987
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
4-[[2-[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3534872
4-[[2-[2-(4-chloro-3-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3249943
2-[(5S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7323967
2-[(5S)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 28748456

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide (CID 3975247) is N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is CN1C(=O)C(CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1nccs1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is STTZIQBYEZLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O2S2/c1-21-13(23)11(25-15(21)20-14-18-4-5-24-14)7-12(22)19-8-2-3-9(16)10(17)6-8/h2-6,11H,7H2,1H3,(H,19,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 415.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3975247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).