4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate

C17H12N3O2S- — CID 7822015

IUPAC4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13N3O2S/c21-16(22)14-8-6-12(7-9-14)10-18-20-17-19-15(11-23-17)13-4-2-1-3-5-13/h1-11H,(H,19,20)(H,21,22)/p-1/b18-10-
InChIKeyBMFJBDIDPOTNEZ-ZDLGFXPLSA-M
MW322.37 g/mol
LogP2.62
Rot. Bonds5

About 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate

4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate (PubChem CID 7822015) has the molecular formula C17H12N3O2S- and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
PubChem CID7822015
Molecular FormulaC17H12N3O2S-
Molecular Weight322.37 g/mol
Exact Mass322.07
IUPAC Name4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
SMILESO=C([O-])c1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13N3O2S/c21-16(22)14-8-6-12(7-9-14)10-18-20-17-19-15(11-23-17)13-4-2-1-3-5-13/h1-11H,(H,19,20)(H,21,22)/p-1/b18-10-
InChIKeyBMFJBDIDPOTNEZ-ZDLGFXPLSA-M
XLogP2.62
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
[4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 91823828
methyl 4-[2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethoxy]benzoate
CID 168577769
3-[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168577848
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110337561

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate (CID 7822015) is 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate is O=C([O-])c1ccc(/C=N\Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate?
The InChIKey is BMFJBDIDPOTNEZ-ZDLGFXPLSA-M. The full InChI is InChI=1S/C17H13N3O2S/c21-16(22)14-8-6-12(7-9-14)10-18-20-17-19-15(11-23-17)13-4-2-1-3-5-13/h1-11H,(H,19,20)(H,21,22)/p-1/b18-10-.
What are the key properties of 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate?
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate has a molecular weight of 322.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 7822015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).