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

C16H11Cl2N3OS — CID 135685310

IUPAC2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-5-10(7-13(12)18)14-9-23-16(20-14)21-19-8-11-3-1-2-4-15(11)22/h1-9,22H,(H,20,21)/b19-8+
InChIKeyKQGJYKYEGMVHGG-UFWORHAWSA-N
MW364.26 g/mol
LogP5.27
Rot. Bonds4

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

2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135685310) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
PubChem CID135685310
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC Name2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-5-10(7-13(12)18)14-9-23-16(20-14)21-19-8-11-3-1-2-4-15(11)22/h1-9,22H,(H,20,21)/b19-8+
InChIKeyKQGJYKYEGMVHGG-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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Related Compounds

N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
4-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 2311169
4-(3,4-dichlorophenyl)-N-[(E)-naphthalen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 135391679
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
4-(3,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 169490570
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336469
4-(4-bromophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6291023

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135685310) is 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
The InChIKey is KQGJYKYEGMVHGG-UFWORHAWSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-12-6-5-10(7-13(12)18)14-9-23-16(20-14)21-19-8-11-3-1-2-4-15(11)22/h1-9,22H,(H,20,21)/b19-8+.
What are the key properties of 2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[4-(3,4-dichlorophenyl)-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-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135685310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).