5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one

C15H12Cl2N6O2S — CID 135689821

IUPAC5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2nc(Cl)c(/C=N/Nc3cn[nH]c(=O)c3Cl)s2)cc1
InChIInChI=1S/C15H12Cl2N6O2S/c1-25-9-4-2-8(3-5-9)20-15-21-13(17)11(26-15)7-19-22-10-6-18-23-14(24)12(10)16/h2-7H,1H3,(H,20,21)(H2,22,23,24)/b19-7+
InChIKeyWAYFVEIRGNOHIX-FBCYGCLPSA-N
MW411.27 g/mol
LogP3.73
Rot. Bonds6

About 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 135689821) has the molecular formula C15H12Cl2N6O2S and a molecular weight of 411.27 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID135689821
Molecular FormulaC15H12Cl2N6O2S
Molecular Weight411.27 g/mol
Exact Mass410.01
IUPAC Name5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1ccc(Nc2nc(Cl)c(/C=N/Nc3cn[nH]c(=O)c3Cl)s2)cc1
InChIInChI=1S/C15H12Cl2N6O2S/c1-25-9-4-2-8(3-5-9)20-15-21-13(17)11(26-15)7-19-22-10-6-18-23-14(24)12(10)16/h2-7H,1H3,(H,20,21)(H2,22,23,24)/b19-7+
InChIKeyWAYFVEIRGNOHIX-FBCYGCLPSA-N
XLogP3.73
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 135689821) is 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one is COc1ccc(Nc2nc(Cl)c(/C=N/Nc3cn[nH]c(=O)c3Cl)s2)cc1.
What is the InChIKey of 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is WAYFVEIRGNOHIX-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H12Cl2N6O2S/c1-25-9-4-2-8(3-5-9)20-15-21-13(17)11(26-15)7-19-22-10-6-18-23-14(24)12(10)16/h2-7H,1H3,(H,20,21)(H2,22,23,24)/b19-7+.
What are the key properties of 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 411.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[[4-chloro-2-(4-methoxyanilino)-1,3-thiazol-5-yl]methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 135689821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).