2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate

C19H24N4O4S — CID 168619107

IUPAC2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1ccc(C=NNc2nc(C)cs2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14-13-28-19(21-14)22-20-12-17-4-6-18(7-5-17)23(8-10-26-15(2)24)9-11-27-16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyKSKIYAYNOOEUKZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.83
Rot. Bonds10

About 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate

2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate (PubChem CID 168619107) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate.

Molecular Properties

Compound Name2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
PubChem CID168619107
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1ccc(C=NNc2nc(C)cs2)cc1
InChIInChI=1S/C19H24N4O4S/c1-14-13-28-19(21-14)22-20-12-17-4-6-18(7-5-17)23(8-10-26-15(2)24)9-11-27-16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyKSKIYAYNOOEUKZ-UHFFFAOYSA-N
XLogP2.83
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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

2-[N-(2-acetyloxyethyl)-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168578092
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
4-[N-methyl-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]benzonitrile
CID 168619054
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 168616854
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 168618466
[2,6-dibromo-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 168618658
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate?
The IUPAC name of 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate (CID 168619107) is 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate.
What is the SMILES notation for 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate?
The canonical SMILES for 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)c1ccc(C=NNc2nc(C)cs2)cc1.
What is the InChIKey of 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate?
The InChIKey is KSKIYAYNOOEUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-14-13-28-19(21-14)22-20-12-17-4-6-18(7-5-17)23(8-10-26-15(2)24)9-11-27-16(3)25/h4-7,12-13H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate?
2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate has a molecular weight of 404.49 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate is sourced from PubChem (CID 168619107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).