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

C19H16ClN3O4S — CID 124550528

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1Cl
InChIInChI=1S/C19H16ClN3O4S/c1-11-4-3-5-12(21-11)9-16-18(25)23(19(26)28-16)10-17(24)22-13-6-7-15(27-2)14(20)8-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+
InChIKeyJZEOUVXALZGLOB-CXUHLZMHSA-N
MW417.87 g/mol
LogP3.73
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 124550528) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID124550528
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1Cl
InChIInChI=1S/C19H16ClN3O4S/c1-11-4-3-5-12(21-11)9-16-18(25)23(19(26)28-16)10-17(24)22-13-6-7-15(27-2)14(20)8-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+
InChIKeyJZEOUVXALZGLOB-CXUHLZMHSA-N
XLogP3.73
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methylphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126184829
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3938315
N-(3-chloro-4-methoxyphenyl)-2-[5-[(3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3892748
N-(3-chloro-4-methoxyphenyl)-2-[(5Z)-5-[(4-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126280749
2-[(5E)-5-[(3-bromo-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 126277722
N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124553338
N-(3-chloro-4-methoxyphenyl)-2-[5-[(2-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3923133
N-(3-chloro-4-methoxyphenyl)-2-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 3989492
N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(4-cyanophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 6036490
2-[(5Z)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 126358856
N-(3-chloro-4-methoxyphenyl)-2-[5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 4566180
2-[2-[[3-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 3660824

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 124550528) is N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C)n3)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is JZEOUVXALZGLOB-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-11-4-3-5-12(21-11)9-16-18(25)23(19(26)28-16)10-17(24)22-13-6-7-15(27-2)14(20)8-13/h3-9H,10H2,1-2H3,(H,22,24)/b16-9+.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(6-methyl-2-pyridinyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 124550528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).