(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide

C15H16N2O5S — CID 166625770

IUPAC(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)NO)s2)c(OC)c1OC
InChIInChI=1S/C15H16N2O5S/c1-20-11-6-5-10(13(21-2)14(11)22-3)15-16-8-9(23-15)4-7-12(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b7-4+
InChIKeyWLURIJZBBHRHBR-QPJJXVBHSA-N
MW336.37 g/mol
LogP2.35
Rot. Bonds6

About (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166625770) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166625770
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)NO)s2)c(OC)c1OC
InChIInChI=1S/C15H16N2O5S/c1-20-11-6-5-10(13(21-2)14(11)22-3)15-16-8-9(23-15)4-7-12(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b7-4+
InChIKeyWLURIJZBBHRHBR-QPJJXVBHSA-N
XLogP2.35
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

HDAC6 inhibitor XP5
CID 162679245
(E)-N-(2-aminophenyl)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166625808
(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166626112
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 166626290
(E)-3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166627821
(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166628499
(E)-N-(2-aminophenyl)-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166629287
(E)-N-hydroxy-3-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166629470
2-(2,4-dimethoxyphenyl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-5-carboxamide
CID 166630119
(E)-3-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-hydroxyprop-2-enamide
CID 166633396
2-(2,4-dimethoxyphenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1,3-thiazole-5-carboxamide
CID 166634212
2-(3,5-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 166635271

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166625770) is (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is COc1ccc(-c2ncc(/C=C/C(=O)NO)s2)c(OC)c1OC.
What is the InChIKey of (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is WLURIJZBBHRHBR-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-20-11-6-5-10(13(21-2)14(11)22-3)15-16-8-9(23-15)4-7-12(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b7-4+.
What are the key properties of (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 336.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166625770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).