2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

C16H11Cl2N3OS — CID 135479622

IUPAC2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyMAFXBSVDQNIJJO-UFWORHAWSA-N
MW364.26 g/mol
LogP5.27
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135479622) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135479622
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+
InChIKeyMAFXBSVDQNIJJO-UFWORHAWSA-N
XLogP5.27
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 135479622) is 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MAFXBSVDQNIJJO-UFWORHAWSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-12-6-11(15(22)13(18)7-12)8-19-21-16-20-14(9-23-16)10-4-2-1-3-5-10/h1-9,22H,(H,20,21)/b19-8+.
What are the key properties of 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 364.26 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135479622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).