2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol

C16H9Cl3N2OS — CID 135452583

IUPAC2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H9Cl3N2OS/c17-11-3-1-9(2-4-11)14-8-23-16(21-14)20-7-10-5-12(18)6-13(19)15(10)22/h1-8,22H/b20-7+
InChIKeyHVLNNMDDKZEBPZ-IFRROFPPSA-N
MW383.69 g/mol
LogP6.23
Rot. Bonds3

About 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol

2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol (PubChem CID 135452583) has the molecular formula C16H9Cl3N2OS and a molecular weight of 383.69 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
PubChem CID135452583
Molecular FormulaC16H9Cl3N2OS
Molecular Weight383.69 g/mol
Exact Mass381.95
IUPAC Name2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C16H9Cl3N2OS/c17-11-3-1-9(2-4-11)14-8-23-16(21-14)20-7-10-5-12(18)6-13(19)15(10)22/h1-8,22H/b20-7+
InChIKeyHVLNNMDDKZEBPZ-IFRROFPPSA-N
XLogP6.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.69
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol (CID 135452583) is 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
The InChIKey is HVLNNMDDKZEBPZ-IFRROFPPSA-N. The full InChI is InChI=1S/C16H9Cl3N2OS/c17-11-3-1-9(2-4-11)14-8-23-16(21-14)20-7-10-5-12(18)6-13(19)15(10)22/h1-8,22H/b20-7+.
What are the key properties of 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol?
2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol has a molecular weight of 383.69 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135452583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).