2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H16N4OS — CID 24865723

IUPAC2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN/N=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N4OS/c23-17(12-20-19-11-14-7-3-1-4-8-14)22-18-21-16(13-24-18)15-9-5-2-6-10-15/h1-11,13,20H,12H2,(H,21,22,23)/b19-11+
InChIKeyDMIKQHBHIUFDCM-YBFXNURJSA-N
MW336.42 g/mol
LogP3.37
Rot. Bonds6

About 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 24865723) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID24865723
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN/N=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N4OS/c23-17(12-20-19-11-14-7-3-1-4-8-14)22-18-21-16(13-24-18)15-9-5-2-6-10-15/h1-11,13,20H,12H2,(H,21,22,23)/b19-11+
InChIKeyDMIKQHBHIUFDCM-YBFXNURJSA-N
XLogP3.37
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865533
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7860662

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 24865723) is 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN/N=C/c1ccccc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DMIKQHBHIUFDCM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4OS/c23-17(12-20-19-11-14-7-3-1-4-8-14)22-18-21-16(13-24-18)15-9-5-2-6-10-15/h1-11,13,20H,12H2,(H,21,22,23)/b19-11+.
What are the key properties of 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24865723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).