1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone

C13H13N3O2S — CID 135433169

IUPAC1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C\c2ccccc2O)nc1C
InChIInChI=1S/C13H13N3O2S/c1-8-12(9(2)17)19-13(15-8)16-14-7-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,15,16)/b14-7-
InChIKeyBQWRFFPRJSNFCX-AUWJEWJLSA-N
MW275.33 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 135433169) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID135433169
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C\c2ccccc2O)nc1C
InChIInChI=1S/C13H13N3O2S/c1-8-12(9(2)17)19-13(15-8)16-14-7-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,15,16)/b14-7-
InChIKeyBQWRFFPRJSNFCX-AUWJEWJLSA-N
XLogP2.81
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-Hydroxy-1-naphthaldehyde (5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135454355
(E)-1-(2-(2-(2-methoxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9652713
(E)-3-(4-hydroxyphenyl)-1-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 162651007
ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 5346429
(E)-1-(2-(2-(3-hydroxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9622712
1-(2-{N'-[1-(4-Methoxy-phenyl)-ethylidene]-hydrazino}-4-methyl-thiazol-5-yl)-ethanone
CID 56642959
ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 135492155
1-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 5710309
ethyl 2-[(2E)-2-[(4-hydroxyphenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 135412156
4-{(E)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}phenol
CID 135454468
1-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 135615255
2-[(E)-1-[2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 172447401

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 135433169) is 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N/N=C\c2ccccc2O)nc1C.
What is the InChIKey of 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is BQWRFFPRJSNFCX-AUWJEWJLSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-12(9(2)17)19-13(15-8)16-14-7-10-5-3-4-6-11(10)18/h3-7,18H,1-2H3,(H,15,16)/b14-7-.
What are the key properties of 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 275.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 135433169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).