N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

C25H21ClN4O3S — CID 168579384

IUPACN-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H21ClN4O3S/c1-32-23-13-17(14-27-30-25-29-21(16-34-25)18-7-3-2-4-8-18)11-12-22(23)33-15-24(31)28-20-10-6-5-9-19(20)26/h2-14,16H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyWEMMBGLSXBHNED-UHFFFAOYSA-N
MW492.99 g/mol
LogP5.94
Rot. Bonds9

About N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168579384) has the molecular formula C25H21ClN4O3S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168579384
Molecular FormulaC25H21ClN4O3S
Molecular Weight492.99 g/mol
Exact Mass492.10
IUPAC NameN-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCOc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H21ClN4O3S/c1-32-23-13-17(14-27-30-25-29-21(16-34-25)18-7-3-2-4-8-18)11-12-22(23)33-15-24(31)28-20-10-6-5-9-19(20)26/h2-14,16H,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyWEMMBGLSXBHNED-UHFFFAOYSA-N
XLogP5.94
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 168579493
N-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578178
methyl 2-[[2-[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetyl]amino]benzoate
CID 168618935
[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 42421360
N-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578617
N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126265773
[2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 168578713
4-(2-anilino-1,3-thiazol-4-yl)-N-[(E)-[4-[2-(2-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 126383260
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579126
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579129
4-(4-chlorophenyl)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5450131
N-[[4-methoxy-3-[(2-methoxyphenoxy)methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576710

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (CID 168579384) is N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is COc1cc(C=NNc2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is WEMMBGLSXBHNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3S/c1-32-23-13-17(14-27-30-25-29-21(16-34-25)18-7-3-2-4-8-18)11-12-22(23)33-15-24(31)28-20-10-6-5-9-19(20)26/h2-14,16H,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 492.99 g/mol, XLogP of 5.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).