2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde

C17H12ClN3OS — CID 138493752

IUPAC2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde
SMILESO=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12ClN3OS/c18-15-8-4-3-7-14(15)16-11-23-17(20-16)21-19-9-12-5-1-2-6-13(12)10-22/h1-11H,(H,20,21)/b19-9+
InChIKeySBZHTEFVMCAHOZ-DJKKODMXSA-N
MW341.82 g/mol
LogP4.72
Rot. Bonds5

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

2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde (PubChem CID 138493752) has the molecular formula C17H12ClN3OS and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde
PubChem CID138493752
Molecular FormulaC17H12ClN3OS
Molecular Weight341.82 g/mol
Exact Mass341.04
IUPAC Name2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde
SMILESO=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12ClN3OS/c18-15-8-4-3-7-14(15)16-11-23-17(20-16)21-19-9-12-5-1-2-6-13(12)10-22/h1-11H,(H,20,21)/b19-9+
InChIKeySBZHTEFVMCAHOZ-DJKKODMXSA-N
XLogP4.72
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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
[2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl]-phenylmethoxymethanol
CID 138493767
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
4-(2,4-dichlorophenyl)-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 155923376
4-(2,4-dichlorophenyl)-N-[(2,3-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3816457
4-(2,4-dichlorophenyl)-N-[(2-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 4552872
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde?
The IUPAC name of 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde (CID 138493752) is 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde.
What is the SMILES notation for 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde?
The canonical SMILES for 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde is O=Cc1ccccc1/C=N/Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde?
The InChIKey is SBZHTEFVMCAHOZ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12ClN3OS/c18-15-8-4-3-7-14(15)16-11-23-17(20-16)21-19-9-12-5-1-2-6-13(12)10-22/h1-11H,(H,20,21)/b19-9+.
What are the key properties of 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde?
2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde has a molecular weight of 341.82 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzaldehyde is sourced from PubChem (CID 138493752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).