N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

C19H16ClN3O3S — CID 126184829

IUPACN-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11-6-7-14(8-15(11)20)22-17(24)10-23-18(25)16(27-19(23)26)9-13-5-3-4-12(2)21-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+
InChIKeyMRMJVNZCQVJADZ-CXUHLZMHSA-N
MW401.88 g/mol
LogP4.03
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 126184829) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID126184829
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)n1
InChIInChI=1S/C19H16ClN3O3S/c1-11-6-7-14(8-15(11)20)22-17(24)10-23-18(25)16(27-19(23)26)9-13-5-3-4-12(2)21-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+
InChIKeyMRMJVNZCQVJADZ-CXUHLZMHSA-N
XLogP4.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124550528
N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184658
N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126186890
2-[(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126185262
N-(3-chloro-4-methylphenyl)-2-[(5E)-2,4-dioxo-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 18772669
[4-[(E)-[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] acetate
CID 126187309
2-[(5E)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126186589
2-[(5Z)-5-[(3-bromo-4-ethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126350295
2-[(5Z)-5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126187175
N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184248
2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3,5-dimethylphenyl)acetamide
CID 126354548
2-[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 126359515

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 126184829) is N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is MRMJVNZCQVJADZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-11-6-7-14(8-15(11)20)22-17(24)10-23-18(25)16(27-19(23)26)9-13-5-3-4-12(2)21-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 401.88 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 126184829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).