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

C18H20N4O2S — CID 110535347

IUPACethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C\c2cn(CC)c3ccccc23)n1
InChIInChI=1S/C18H20N4O2S/c1-3-22-11-13(15-7-5-6-8-16(15)22)10-19-21-18-20-14(12-25-18)9-17(23)24-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)/b19-10-
InChIKeyGIFFDCXPGWFUQC-GRSHGNNSSA-N
MW356.45 g/mol
LogP3.67
Rot. Bonds7

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

ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 110535347) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
PubChem CID110535347
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Nameethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N/N=C\c2cn(CC)c3ccccc23)n1
InChIInChI=1S/C18H20N4O2S/c1-3-22-11-13(15-7-5-6-8-16(15)22)10-19-21-18-20-14(12-25-18)9-17(23)24-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)/b19-10-
InChIKeyGIFFDCXPGWFUQC-GRSHGNNSSA-N
XLogP3.67
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'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-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5348591
ethyl 2-[2-[2-[(2-oxobenzimidazol-4-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[2-[(2,3,4-trifluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622705
ethyl 2-[2-[2-[[2,3-difluoro-4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624989
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-(pyrrolidin-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623033
ethyl 2-[2-[2-[[2-(pyrazol-1-ylmethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623957
ethyl 2-[2-[2-[(2-propylsulfanylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623104
ethyl 2-[2-[2-[[2-methoxy-3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624137
ethyl 2-[2-[2-[(2,3-difluoro-4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622922
ethyl 2-[2-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168622790
ethyl 2-[2-[2-[[2-(4-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623417

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate (CID 110535347) is ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N/N=C\c2cn(CC)c3ccccc23)n1.
What is the InChIKey of ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is GIFFDCXPGWFUQC-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-22-11-13(15-7-5-6-8-16(15)22)10-19-21-18-20-14(12-25-18)9-17(23)24-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 356.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2Z)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 110535347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).