N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C19H17Cl2N3O2S — CID 35177861

IUPACN-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)ccc3Cl)C(=O)N2C)cc1
InChIInChI=1S/C19H17Cl2N3O2S/c1-11-3-6-13(7-4-11)22-19-24(2)18(26)16(27-19)10-17(25)23-15-9-12(20)5-8-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1
InChIKeyMYHGVPNOJCIWER-UFIXSJTLSA-N
MW422.34 g/mol
LogP4.89
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 35177861) has the molecular formula C19H17Cl2N3O2S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID35177861
Molecular FormulaC19H17Cl2N3O2S
Molecular Weight422.34 g/mol
Exact Mass421.04
IUPAC NameN-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)ccc3Cl)C(=O)N2C)cc1
InChIInChI=1S/C19H17Cl2N3O2S/c1-11-3-6-13(7-4-11)22-19-24(2)18(26)16(27-19)10-17(25)23-15-9-12(20)5-8-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1
InChIKeyMYHGVPNOJCIWER-UFIXSJTLSA-N
XLogP4.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
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-chloro-4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830614
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-methyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9429953
N-(4-chlorophenyl)-2-[(5S)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7324470
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143362
2-[(5S)-2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 40830248
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
methyl 4-[[(5S)-5-[2-(2-chloroanilino)-2-oxoethyl]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 41242632
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40830343
2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 45145516
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(5-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 40830580
2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 9430014
N-(3,5-dichlorophenyl)-2-[(5S)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244395

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 35177861) is N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3cc(Cl)ccc3Cl)C(=O)N2C)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MYHGVPNOJCIWER-UFIXSJTLSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2S/c1-11-3-6-13(7-4-11)22-19-24(2)18(26)16(27-19)10-17(25)23-15-9-12(20)5-8-14(15)21/h3-9,16H,10H2,1-2H3,(H,23,25)/b22-19+/t16-/m1/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 422.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(5R)-3-methyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 35177861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).