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

C19H17ClN4O3S — CID 135426290

IUPACN-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N\N=C\c3cccc(O)c3)NC2=O)cc1Cl
InChIInChI=1S/C19H17ClN4O3S/c1-11-5-6-13(8-15(11)20)22-17(26)9-16-18(27)23-19(28-16)24-21-10-12-3-2-4-14(25)7-12/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+
InChIKeyCLVMSZVMFQYUFF-UFFVCSGVSA-N
MW416.89 g/mol
LogP3.30
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135426290) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135426290
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N\N=C\c3cccc(O)c3)NC2=O)cc1Cl
InChIInChI=1S/C19H17ClN4O3S/c1-11-5-6-13(8-15(11)20)22-17(26)9-16-18(27)23-19(28-16)24-21-10-12-3-2-4-14(25)7-12/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+
InChIKeyCLVMSZVMFQYUFF-UFFVCSGVSA-N
XLogP3.30
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.30
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135426290) is N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(NC(=O)CC2S/C(=N\N=C\c3cccc(O)c3)NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is CLVMSZVMFQYUFF-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-11-5-6-13(8-15(11)20)22-17(26)9-16-18(27)23-19(28-16)24-21-10-12-3-2-4-14(25)7-12/h2-8,10,16,25H,9H2,1H3,(H,22,26)(H,23,24,27)/b21-10+.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 416.89 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(2Z)-2-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135426290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).