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

C14H15N3O3S — CID 135492155

IUPACethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C/c2ccccc2O)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-6-4-5-7-11(10)18/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+
InChIKeyATCLBIWNPGMWSG-OVCLIPMQSA-N
MW305.36 g/mol
LogP2.78
Rot. Bonds5

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

ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 135492155) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID135492155
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Nameethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N/N=C/c2ccccc2O)nc1C
InChIInChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-6-4-5-7-11(10)18/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+
InChIKeyATCLBIWNPGMWSG-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': '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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate (CID 135492155) is ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N/N=C/c2ccccc2O)nc1C.
What is the InChIKey of ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ATCLBIWNPGMWSG-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-3-20-13(19)12-9(2)16-14(21-12)17-15-8-10-6-4-5-7-11(10)18/h4-8,18H,3H2,1-2H3,(H,16,17)/b15-8+.
What are the key properties of ethyl 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2E)-2-[(2-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-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135492155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).