ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

C23H21FN4O2S — CID 168624362

IUPACethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc3c(ccn3Cc3ccc(F)cc3)c2)n1
InChIInChI=1S/C23H21FN4O2S/c1-2-30-22(29)12-20-15-31-23(26-20)27-25-13-17-5-8-21-18(11-17)9-10-28(21)14-16-3-6-19(24)7-4-16/h3-11,13,15H,2,12,14H2,1H3,(H,26,27)
InChIKeyYSBJQVZHAVKRCD-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.84
Rot. Bonds8

About ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 168624362) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID168624362
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC Nameethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NN=Cc2ccc3c(ccn3Cc3ccc(F)cc3)c2)n1
InChIInChI=1S/C23H21FN4O2S/c1-2-30-22(29)12-20-15-31-23(26-20)27-25-13-17-5-8-21-18(11-17)9-10-28(21)14-16-3-6-19(24)7-4-16/h3-11,13,15H,2,12,14H2,1H3,(H,26,27)
InChIKeyYSBJQVZHAVKRCD-UHFFFAOYSA-N
XLogP4.84
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.84
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-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[2-[[4-(4-fluorophenoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622744
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-[(3-fluoro-4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622674
ethyl 2-[2-[2-[(2-chloroquinolin-6-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624124
ethyl 2-[2-[2-[(4-fluoro-3,5-dimethylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624131
ethyl 2-[2-[2-[(2-ethoxy-5-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623044
ethyl 2-[2-[2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625204
ethyl 2-[2-[2-[[4-(4-fluorophenyl)sulfanyl-3-nitrophenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625190
ethyl 2-[2-[2-[[3,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622795
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 168624362) is ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NN=Cc2ccc3c(ccn3Cc3ccc(F)cc3)c2)n1.
What is the InChIKey of ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is YSBJQVZHAVKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-2-30-22(29)12-20-15-31-23(26-20)27-25-13-17-5-8-21-18(11-17)9-10-28(21)14-16-3-6-19(24)7-4-16/h3-11,13,15H,2,12,14H2,1H3,(H,26,27).
What are the key properties of ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 436.51 g/mol, XLogP of 4.84, 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-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 168624362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).