ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C20H19ClN4O2S — CID 168625250

IUPACethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(Cc3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C20H19ClN4O2S/c1-2-27-19(26)10-17-13-28-20(24-17)25-23-12-15-5-3-14(4-6-15)9-16-7-8-18(21)22-11-16/h3-8,11-13H,2,9-10H2,1H3,(H,24,25)
InChIKeyQNGXWANCPWRMEG-UHFFFAOYSA-N
MW414.92 g/mol
LogP4.33
Rot. Bonds8

About ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168625250) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168625250
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Nameethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc(Cc3ccc(Cl)nc3)cc2)n1
InChIInChI=1S/C20H19ClN4O2S/c1-2-27-19(26)10-17-13-28-20(24-17)25-23-12-15-5-3-14(4-6-15)9-16-7-8-18(21)22-11-16/h3-8,11-13H,2,9-10H2,1H3,(H,24,25)
InChIKeyQNGXWANCPWRMEG-UHFFFAOYSA-N
XLogP4.33
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]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-ethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 40570282
ethyl 2-[2-[2-[(2-chloroquinolin-6-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624124
ethyl 2-[2-[2-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624897
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
ethyl 2-[2-[2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624281
ethyl 2-[2-[2-[[4-[(2,6-difluorophenoxy)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623252
ethyl 2-[2-[2-[(4-chloro-3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622672
ethyl 2-[2-[2-[(3-chloro-4-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622624
ethyl 2-[2-[2-[[4-(dimethylcarbamoyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623616
ethyl 2-[2-[2-[[4-(3-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623409
ethyl 2-[2-[2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623870

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168625250) is ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccc(Cc3ccc(Cl)nc3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is QNGXWANCPWRMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-2-27-19(26)10-17-13-28-20(24-17)25-23-12-15-5-3-14(4-6-15)9-16-7-8-18(21)22-11-16/h3-8,11-13H,2,9-10H2,1H3,(H,24,25).
What are the key properties of ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[4-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 414.92 g/mol, XLogP of 4.33, 8 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-[(6-chloro-3-pyridinyl)methyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168625250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).