ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C23H24N4O4S — CID 168624380

IUPACethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccccc2OCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C23H24N4O4S/c1-2-30-22(29)12-19-16-32-23(26-19)27-25-14-18-10-6-7-11-20(18)31-15-21(28)24-13-17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,24,28)(H,26,27)
InChIKeyHCSYNUHGRSWFLZ-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.39
Rot. Bonds11

About ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168624380) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168624380
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Nameethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccccc2OCC(=O)NCc2ccccc2)n1
InChIInChI=1S/C23H24N4O4S/c1-2-30-22(29)12-19-16-32-23(26-19)27-25-14-18-10-6-7-11-20(18)31-15-21(28)24-13-17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,24,28)(H,26,27)
InChIKeyHCSYNUHGRSWFLZ-UHFFFAOYSA-N
XLogP3.39
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623887
ethyl 2-[2-[2-[[2-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623878
ethyl 2-[2-[2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623819
ethyl 2-[2-[2-[[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623761
ethyl 2-[2-[2-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622889
ethyl 2-[2-[2-[[2,5-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622959
ethyl 2-[2-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624221
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
ethyl 2-[2-[2-[(2-ethoxy-5-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623044
ethyl 2-[2-[2-[[2-(4-phenylmethoxyphenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623651
ethyl 2-[2-[2-[[2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168624380) is ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccccc2OCC(=O)NCc2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is HCSYNUHGRSWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-2-30-22(29)12-19-16-32-23(26-19)27-25-14-18-10-6-7-11-20(18)31-15-21(28)24-13-17-8-4-3-5-9-17/h3-11,14,16H,2,12-13,15H2,1H3,(H,24,28)(H,26,27).
What are the key properties of ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 452.54 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168624380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).