ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C21H23N3O4S — CID 168624747

IUPACethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2c(OCCOC)ccc3ccccc23)n1
InChIInChI=1S/C21H23N3O4S/c1-3-27-20(25)12-16-14-29-21(23-16)24-22-13-18-17-7-5-4-6-15(17)8-9-19(18)28-11-10-26-2/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24)
InChIKeyKCVOMWUZKLQXPD-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.87
Rot. Bonds10

About ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168624747) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168624747
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Nameethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2c(OCCOC)ccc3ccccc23)n1
InChIInChI=1S/C21H23N3O4S/c1-3-27-20(25)12-16-14-29-21(23-16)24-22-13-18-17-7-5-4-6-15(17)8-9-19(18)28-11-10-26-2/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24)
InChIKeyKCVOMWUZKLQXPD-UHFFFAOYSA-N
XLogP3.87
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 5-[[1-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]furan-2-carboxylate
CID 168623538
ethyl 2-[2-[2-[(2,3,4,5,6-pentamethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623365
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[[2-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623878
ethyl 2-[2-[2-[[5-bromo-2-(2-ethoxyethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624200
ethyl 2-[2-[2-[[4-ethoxy-3-(hydroxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624521
ethyl 2-[2-[2-[(2-ethoxy-5-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623044
ethyl 2-[2-[2-[[2-[2-(benzylamino)-2-oxoethoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624380
ethyl 2-[2-[2-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623931
ethyl 2-[2-[2-[[4-(3-bromopropoxy)-3-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624413
methyl 3-bromo-2-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoate
CID 168625418
ethyl 2-[2-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623887

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168624747) is ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2c(OCCOC)ccc3ccccc23)n1.
What is the InChIKey of ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is KCVOMWUZKLQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-3-27-20(25)12-16-14-29-21(23-16)24-22-13-18-17-7-5-4-6-15(17)8-9-19(18)28-11-10-26-2/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 413.50 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[[2-(2-methoxyethoxy)naphthalen-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168624747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).