ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate

C19H18N4O2S — CID 168628165

IUPACethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C19H18N4O2S/c1-2-25-18(24)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-21-23-19-22-17(20)12-26-19/h3-12H,2,20H2,1H3,(H,22,23)
InChIKeyYLSNBTPBVBCTNL-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate

ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate (PubChem CID 168628165) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
PubChem CID168628165
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Nameethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2C=NNc2nc(N)cs2)cc1
InChIInChI=1S/C19H18N4O2S/c1-2-25-18(24)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-21-23-19-22-17(20)12-26-19/h3-12H,2,20H2,1H3,(H,22,23)
InChIKeyYLSNBTPBVBCTNL-UHFFFAOYSA-N
XLogP4.01
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
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'}

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Related Compounds

ethyl 2-[2-[2-[[2-(4-chlorophenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623417
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]-2-fluorobenzoic acid
CID 168626774
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-2-ethoxyphenyl] benzoate
CID 168627621
ethyl 2-[2-[2-[[2-(4-phenylmethoxyphenyl)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623651
2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627757
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
2-chloro-4-[2-[[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl]benzoic acid
CID 168623825
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
ethyl 2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazole-4-carboxylate
CID 162787788
ethyl 5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-carboxylate
CID 168628025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate?
The IUPAC name of ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate (CID 168628165) is ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate.
What is the SMILES notation for ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate?
The canonical SMILES for ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate is CCOC(=O)c1ccc(-c2ccccc2C=NNc2nc(N)cs2)cc1.
What is the InChIKey of ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate?
The InChIKey is YLSNBTPBVBCTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-25-18(24)14-9-7-13(8-10-14)16-6-4-3-5-15(16)11-21-23-19-22-17(20)12-26-19/h3-12H,2,20H2,1H3,(H,22,23).
What are the key properties of ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate?
ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate has a molecular weight of 366.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoate is sourced from PubChem (CID 168628165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).