2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol

C15H9Cl2N3OS — CID 137279187

IUPAC2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H9Cl2N3OS/c16-11-6-10(13(21)12(17)7-11)8-18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8,21H/b18-8+
InChIKeyLPDSDYUNPUPHSV-QGMBQPNBSA-N
MW350.23 g/mol
LogP4.97
Rot. Bonds3

About 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol

2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol (PubChem CID 137279187) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
PubChem CID137279187
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC Name2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H9Cl2N3OS/c16-11-6-10(13(21)12(17)7-11)8-18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8,21H/b18-8+
InChIKeyLPDSDYUNPUPHSV-QGMBQPNBSA-N
XLogP4.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol (CID 137279187) is 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
The InChIKey is LPDSDYUNPUPHSV-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c16-11-6-10(13(21)12(17)7-11)8-18-15-20-19-14(22-15)9-4-2-1-3-5-9/h1-8,21H/b18-8+.
What are the key properties of 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol?
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol has a molecular weight of 350.23 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 137279187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).