ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate

C14H13N3O3S — CID 154031567

IUPACethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate
SMILESCCOC(=O)C(/N=N/c1nccs1)=C(O)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-2-20-13(19)11(16-17-14-15-8-9-21-14)12(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b12-11?,17-16+
InChIKeyDCQGLAYQUUWVOH-QPYFREFHSA-N
MW303.34 g/mol
LogP3.72
Rot. Bonds5

About ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate

ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate (PubChem CID 154031567) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate
PubChem CID154031567
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Nameethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate
SMILESCCOC(=O)C(/N=N/c1nccs1)=C(O)c1ccccc1
InChIInChI=1S/C14H13N3O3S/c1-2-20-13(19)11(16-17-14-15-8-9-21-14)12(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b12-11?,17-16+
InChIKeyDCQGLAYQUUWVOH-QPYFREFHSA-N
XLogP3.72
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-ethoxy-1-hydroxy-3-oxo-1-phenylprop-1-en-2-yl)diazenyl]benzoate
CID 135522208
ethyl 3-hydroxy-2-[(2-nitrophenyl)diazenyl]-3-phenylprop-2-enoate
CID 135527429
ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate
CID 135541155
ethyl 3-oxo-2-(1,3-thiazol-2-yldiazenyl)butanoate
CID 102356354
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-phenyldiazenylprop-2-enoate
CID 173121540
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
ethyl (Z)-2-[(2,6-difluorophenyl)diazenyl]-3-(2-ethyl-5-methylpyrazol-3-yl)-3-hydroxyprop-2-enoate
CID 137228627
ethyl (E)-2-[(2-chlorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 135543149
ethyl (Z)-3-hydroxy-2-[(3-methylphenyl)diazenyl]but-2-enoate
CID 135473071
ethyl 2,3-diphenylbut-2-enoate
CID 175493323

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate?
The IUPAC name of ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate (CID 154031567) is ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate is CCOC(=O)C(/N=N/c1nccs1)=C(O)c1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate?
The InChIKey is DCQGLAYQUUWVOH-QPYFREFHSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-2-20-13(19)11(16-17-14-15-8-9-21-14)12(18)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b12-11?,17-16+.
What are the key properties of ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate?
ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate has a molecular weight of 303.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate is sourced from PubChem (CID 154031567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).