N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H19ClN4O3S — CID 135599521

IUPACN-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)c(Cl)c2)S1
InChIInChI=1S/C20H19ClN4O3S/c1-12-7-8-14(9-15(12)21)23-18(26)10-17-19(27)24-20(29-17)25-22-11-13-5-3-4-6-16(13)28-2/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,24,25,27)/b22-11+
InChIKeyYPUYZXJUJFVHLU-SSDVNMTOSA-N
MW430.92 g/mol
LogP3.61
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135599521) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135599521
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)c(Cl)c2)S1
InChIInChI=1S/C20H19ClN4O3S/c1-12-7-8-14(9-15(12)21)23-18(26)10-17-19(27)24-20(29-17)25-22-11-13-5-3-4-6-16(13)28-2/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,24,25,27)/b22-11+
InChIKeyYPUYZXJUJFVHLU-SSDVNMTOSA-N
XLogP3.61
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[(2E,5S)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852303
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135422532
N-(2,3-dichlorophenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135599556
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135726130
N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135455174
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2Z)-4-oxo-2-[(E)-[2-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
CID 135666026
N-(3-chloro-4-methylphenyl)-2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135526738
N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-[(Z)-1-(3,4-dimethoxyphenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135852772
2-[(2Z,5S)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135705138
2-[(2Z)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135426326
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821
2-[(2E)-2-[(E)-(2-butoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135500775

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135599521) is N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccccc1/C=N/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)c(Cl)c2)S1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YPUYZXJUJFVHLU-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-12-7-8-14(9-15(12)21)23-18(26)10-17-19(27)24-20(29-17)25-22-11-13-5-3-4-6-16(13)28-2/h3-9,11,17H,10H2,1-2H3,(H,23,26)(H,24,25,27)/b22-11+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 430.92 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135599521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).