ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate

C14H15N3O3S — CID 5346429

IUPACethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C/c2cccc(O)c2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-5-4-6-11(18)7-10/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+
InChIKeyBLPWXDDAGXSZNF-OVCLIPMQSA-N
MW305.36 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 5346429) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID5346429
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C/c2cccc(O)c2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-5-4-6-11(18)7-10/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+
InChIKeyBLPWXDDAGXSZNF-OVCLIPMQSA-N
XLogP2.78
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.78
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-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 5346416
Ethyl 4-methyl-2-[2-(3-methylbenzylidene)hydrazino]-1,3-thiazole-5-carboxylate
CID 9582542
(E)-1-(2-(2-(2-methoxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9652713
2-Hydroxybenzaldehyde (5-acetyl-4-methyl-1,3-thiazol-2-yl)hydrazone
CID 135433169
ethyl 4-methyl-2-[(2E)-2-[1-(2-oxochromen-3-yl)ethylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 155540353
(E)-1-(2-(2-(3-hydroxybenzylidene)hydrazinyl)-4-methylthiazol-5-yl)ethanone
CID 9622712
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
4-[(E)-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid
CID 9582724
(E)-4-((2-(5-(methoxycarbonyl)-4-methylthiazol-2-yl)hydrazono)methyl)benzoic acid
CID 9692664
ethyl 2-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-4-methyl-thiazole-5-carboxylate
CID 9710713
ethyl 4-methyl-2-[(2E)-2-(p-tolylmethylene)hydrazino]thiazole-5-carboxylate
CID 24310783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 5346429) is ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N/N=C/c2cccc(O)c2)nc1C.
What is the InChIKey of ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BLPWXDDAGXSZNF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-5-4-6-11(18)7-10/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+.
What are the key properties of ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5346429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).