[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

C14H16ClN3O3S — CID 141451059

IUPAC[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCc1ncsc1C(=O)OC/C=N/NCc1ccccc1O.Cl
InChIInChI=1S/C14H15N3O3S.ClH/c1-10-13(21-9-15-10)14(19)20-7-6-16-17-8-11-4-2-3-5-12(11)18;/h2-6,9,17-18H,7-8H2,1H3;1H/b16-6+;
InChIKeyFDXZIPHISOOGIQ-FPUQOWELSA-N
MW341.82 g/mol
LogP2.51
Rot. Bonds6

About [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride

[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 141451059) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID141451059
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCc1ncsc1C(=O)OC/C=N/NCc1ccccc1O.Cl
InChIInChI=1S/C14H15N3O3S.ClH/c1-10-13(21-9-15-10)14(19)20-7-6-16-17-8-11-4-2-3-5-12(11)18;/h2-6,9,17-18H,7-8H2,1H3;1H/b16-6+;
InChIKeyFDXZIPHISOOGIQ-FPUQOWELSA-N
XLogP2.51
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

[(2E)-2-[(2,4-dihydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 141451056
[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 141451050
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43383805
ethyl 4-methyl-1,3-thiazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 175774897
2-(2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105079227
2-(2,6-difluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105135828
ethyl 4-methyl-1,3-thiazole-5-carboxylate;4-methyl-1,3-thiazole-5-carboximidamide;hydrochloride
CID 161462361
4,4,4-trifluorobutyl 4-methyl-1,3-thiazole-5-carboxylate
CID 86781460
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55768909
N-[2-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 111881487
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
2-(2-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78952141

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 141451059) is [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is Cc1ncsc1C(=O)OC/C=N/NCc1ccccc1O.Cl.
What is the InChIKey of [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is FDXZIPHISOOGIQ-FPUQOWELSA-N. The full InChI is InChI=1S/C14H15N3O3S.ClH/c1-10-13(21-9-15-10)14(19)20-7-6-16-17-8-11-4-2-3-5-12(11)18;/h2-6,9,17-18H,7-8H2,1H3;1H/b16-6+;.
What are the key properties of [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride?
[(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 341.82 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(2-hydroxyphenyl)methylhydrazinylidene]ethyl] 4-methyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 141451059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).