N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H15ClN4O3S — CID 135425060

IUPACN-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)o1
InChIInChI=1S/C17H15ClN4O3S/c1-10-2-7-13(25-10)9-19-22-17-21-16(24)14(26-17)8-15(23)20-12-5-3-11(18)4-6-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9+
InChIKeyQRTADXNTWHNSQD-DJKKODMXSA-N
MW390.85 g/mol
LogP3.19
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135425060) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135425060
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)o1
InChIInChI=1S/C17H15ClN4O3S/c1-10-2-7-13(25-10)9-19-22-17-21-16(24)14(26-17)8-15(23)20-12-5-3-11(18)4-6-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9+
InChIKeyQRTADXNTWHNSQD-DJKKODMXSA-N
XLogP3.19
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135425060) is N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)Nc3ccc(Cl)cc3)S2)o1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QRTADXNTWHNSQD-DJKKODMXSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-10-2-7-13(25-10)9-19-22-17-21-16(24)14(26-17)8-15(23)20-12-5-3-11(18)4-6-12/h2-7,9,14H,8H2,1H3,(H,20,23)(H,21,22,24)/b19-9+.
What are the key properties of N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 390.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2Z)-2-[(E)-(5-methylfuran-2-yl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135425060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).