ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C20H26N4O2S — CID 168623959

IUPACethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(N3CCCCC3)cc2C)n1
InChIInChI=1S/C20H26N4O2S/c1-3-26-19(25)12-17-14-27-20(22-17)23-21-13-16-7-8-18(11-15(16)2)24-9-5-4-6-10-24/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,23)
InChIKeyFCHLDUQVVJTACG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.99
Rot. Bonds7

About ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168623959) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168623959
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Nameethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(N3CCCCC3)cc2C)n1
InChIInChI=1S/C20H26N4O2S/c1-3-26-19(25)12-17-14-27-20(22-17)23-21-13-16-7-8-18(11-15(16)2)24-9-5-4-6-10-24/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,23)
InChIKeyFCHLDUQVVJTACG-UHFFFAOYSA-N
XLogP3.99
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.99
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'}

Analyze ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[2-[(5-bromo-2-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625205
ethyl 2-[2-[2-[[2-(azepan-1-ylmethyl)-4-methoxyphenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624373
ethyl 2-[2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622805
ethyl 2-[2-[2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623517
ethyl 2-[2-[2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623033
ethyl 2-[2-[2-[(4-ethoxy-2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623802
ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624526
ethyl 2-[2-[2-[(2,3,4-trifluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622705
ethyl 2-[2-[2-[(2-chloro-4-iodophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625012
ethyl 2-[2-[2-[(5-bromo-2-ethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622989
ethyl 2-[2-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168600692
ethyl 2-[2-[2-[(4-fluoro-3,5-dimethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624131

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168623959) is ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccc(N3CCCCC3)cc2C)n1.
What is the InChIKey of ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is FCHLDUQVVJTACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-3-26-19(25)12-17-14-27-20(22-17)23-21-13-16-7-8-18(11-15(16)2)24-9-5-4-6-10-24/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[(2-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 386.52 g/mol, XLogP of 3.99, 7 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-methyl-4-piperidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168623959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).