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

C11H9Cl2N3OS — CID 168616866

IUPAC2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16)
InChIKeyQJDIHYOHNMTMBN-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.91
Rot. Bonds3

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

2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168616866) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168616866
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C11H9Cl2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16)
InChIKeyQJDIHYOHNMTMBN-UHFFFAOYSA-N
XLogP3.91
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.91
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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Related Compounds

2,4-Dichloro-6-[(2-thiazolylamino)methylidene]-1-cyclohexa-2,4-dienone
CID 690752
2,4-Dichloro-6-[(E)-thiazol-2-yliminomethyl]-phenol
CID 135512343
3,5-Dichloro-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 135479622
2,4-dichloro-6-[(E)-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]phenol
CID 135629120
4-chloro-2-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136180642
4-chloro-2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136180643
2,4-dichloro-6-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136180645
4-Chloro-2-[(4-phenyl-thiazol-2-yl)-hydrazonomethyl]-phenol
CID 136180646
2,4-dichloro-6-[(E)-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 135452583
2,4-Dichloro-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 332167
2-Chloro-4-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577431
4-Chloro-3-fluoro-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168578212

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol (CID 168616866) is 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is Cc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1.
What is the InChIKey of 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is QJDIHYOHNMTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6-5-18-11(15-6)16-14-4-7-2-8(12)3-9(13)10(7)17/h2-5,17H,1H3,(H,15,16).
What are the key properties of 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 302.19 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168616866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).