N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide

C19H17ClN4O2S — CID 9069950

IUPACN-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(/C=N\Nc3ccccc3Cl)cs2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-13(25)24(15-7-9-16(26-2)10-8-15)19-22-14(12-27-19)11-21-23-18-6-4-3-5-17(18)20/h3-12,23H,1-2H3/b21-11-
InChIKeyGNPXIPDRWYHWCF-NHDPSOOVSA-N
MW400.89 g/mol
LogP4.94
Rot. Bonds6

About N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide

N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 9069950) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID9069950
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc(/C=N\Nc3ccccc3Cl)cs2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-13(25)24(15-7-9-16(26-2)10-8-15)19-22-14(12-27-19)11-21-23-18-6-4-3-5-17(18)20/h3-12,23H,1-2H3/b21-11-
InChIKeyGNPXIPDRWYHWCF-NHDPSOOVSA-N
XLogP4.94
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.94
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'}

Analyze N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 9017330
N-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9013582
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
N-[4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 135824097
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-[(Z)-methoxyiminomethyl]-1,3-thiazol-2-yl]-N-(3-methoxyphenyl)acetamide
CID 27718171
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 9076378
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351884
N-[4-[(Z)-[[(2R)-1-methoxypropan-2-yl]carbamothioylhydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9175719
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-cyclopropyloxamide
CID 9352695
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 29219581
N-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9058415

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide (CID 9069950) is N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2nc(/C=N\Nc3ccccc3Cl)cs2)cc1.
What is the InChIKey of N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is GNPXIPDRWYHWCF-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-13(25)24(15-7-9-16(26-2)10-8-15)19-22-14(12-27-19)11-21-23-18-6-4-3-5-17(18)20/h3-12,23H,1-2H3/b21-11-.
What are the key properties of N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide?
N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 400.89 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-[(2-chlorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9069950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).