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

C19H22N4O3S — CID 168624526

IUPACethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C19H22N4O3S/c1-2-26-17(24)11-16-13-27-19(21-16)22-20-12-14-5-7-15(8-6-14)18(25)23-9-3-4-10-23/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,22)
InChIKeyYKPPPVRZYYXANW-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.93
Rot. Bonds7

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

ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168624526) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168624526
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Nameethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C19H22N4O3S/c1-2-26-17(24)11-16-13-27-19(21-16)22-20-12-14-5-7-15(8-6-14)18(25)23-9-3-4-10-23/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,22)
InChIKeyYKPPPVRZYYXANW-UHFFFAOYSA-N
XLogP2.93
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.93
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-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-[2-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624801
ethyl 2-[2-[2-[[4-(dimethylcarbamoyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623616
ethyl 2-[2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622805
ethyl 2-[2-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 40570282
ethyl 2-[2-[2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623517
ethyl 2-[2-[2-[[4-(2-hydroxyethylcarbamoyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624815
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
ethyl 2-[2-[2-[[4-ethoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624434
ethyl 2-[2-[2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623033
ethyl 2-[2-[2-[(4-tert-butylsulfanylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625203
ethyl 2-[2-[2-[[4-(methylsulfamoyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623953
ethyl 3-[4-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenoxy]propanoate
CID 168624513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168624526) is ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is YKPPPVRZYYXANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-26-17(24)11-16-13-27-19(21-16)22-20-12-14-5-7-15(8-6-14)18(25)23-9-3-4-10-23/h5-8,12-13H,2-4,9-11H2,1H3,(H,21,22).
What are the key properties of ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 386.48 g/mol, XLogP of 2.93, 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-[[4-(pyrrolidine-1-carbonyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168624526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).