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

C20H25N3O3S — CID 168623123

IUPACethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccccc2COC2CCCC2)n1
InChIInChI=1S/C20H25N3O3S/c1-2-25-19(24)11-17-14-27-20(22-17)23-21-12-15-7-3-4-8-16(15)13-26-18-9-5-6-10-18/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23)
InChIKeyOEJGEQKTCSQBIE-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.15
Rot. Bonds9

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

ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168623123) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168623123
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Nameethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccccc2COC2CCCC2)n1
InChIInChI=1S/C20H25N3O3S/c1-2-25-19(24)11-17-14-27-20(22-17)23-21-12-15-7-3-4-8-16(15)13-26-18-9-5-6-10-18/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23)
InChIKeyOEJGEQKTCSQBIE-UHFFFAOYSA-N
XLogP4.15
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
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

ethyl 2-[2-[2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623232
ethyl 2-[2-[2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623033
ethyl 2-[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[[2-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623246
ethyl 2-[2-[2-[[2-(pyrazol-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623957
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-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623878
ethyl 2-[2-[2-[(2-propylsulfanylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623104
ethyl 2-[2-[2-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623887
ethyl 2-[2-[2-[(2-oxobenzimidazol-4-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624867
ethyl 2-[2-[2-[[2-(4-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623417
ethyl 2-[2-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168623123) is ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccccc2COC2CCCC2)n1.
What is the InChIKey of ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is OEJGEQKTCSQBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-25-19(24)11-17-14-27-20(22-17)23-21-12-15-7-3-4-8-16(15)13-26-18-9-5-6-10-18/h3-4,7-8,12,14,18H,2,5-6,9-11,13H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 387.51 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-[[2-(cyclopentyloxymethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168623123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).