(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

C14H14N2O4S — CID 166633396

IUPAC(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCOc1cc(OC)cc(-c2ncc(/C=C/C(=O)NO)s2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-9(6-11(7-10)20-2)14-15-8-12(21-14)3-4-13(17)16-18/h3-8,18H,1-2H3,(H,16,17)/b4-3+
InChIKeyHYNKXGFKJRICCE-ONEGZZNKSA-N
MW306.34 g/mol
LogP2.35
Rot. Bonds5

About (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 166633396) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
PubChem CID166633396
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
SMILESCOc1cc(OC)cc(-c2ncc(/C=C/C(=O)NO)s2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-10-5-9(6-11(7-10)20-2)14-15-8-12(21-14)3-4-13(17)16-18/h3-8,18H,1-2H3,(H,16,17)/b4-3+
InChIKeyHYNKXGFKJRICCE-ONEGZZNKSA-N
XLogP2.35
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide (CID 166633396) is (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is COc1cc(OC)cc(-c2ncc(/C=C/C(=O)NO)s2)c1.
What is the InChIKey of (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is HYNKXGFKJRICCE-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-10-5-9(6-11(7-10)20-2)14-15-8-12(21-14)3-4-13(17)16-18/h3-8,18H,1-2H3,(H,16,17)/b4-3+.
What are the key properties of (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166633396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).