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

C15H16N2O5S — CID 166628499

IUPAC(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1cc(-c2ncc(/C=C/C(=O)NO)s2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O5S/c1-20-11-6-9(7-12(21-2)14(11)22-3)15-16-8-10(23-15)4-5-13(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b5-4+
InChIKeyWKOYMTOKRMOPLE-SNAWJCMRSA-N
MW336.37 g/mol
LogP2.35
Rot. Bonds6

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

(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166628499) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166628499
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1cc(-c2ncc(/C=C/C(=O)NO)s2)cc(OC)c1OC
InChIInChI=1S/C15H16N2O5S/c1-20-11-6-9(7-12(21-2)14(11)22-3)15-16-8-10(23-15)4-5-13(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b5-4+
InChIKeyWKOYMTOKRMOPLE-SNAWJCMRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166628499) is (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is COc1cc(-c2ncc(/C=C/C(=O)NO)s2)cc(OC)c1OC.
What is the InChIKey of (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is WKOYMTOKRMOPLE-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-20-11-6-9(7-12(21-2)14(11)22-3)15-16-8-10(23-15)4-5-13(18)17-19/h4-8,19H,1-3H3,(H,17,18)/b5-4+.
What are the key properties of (E)-N-hydroxy-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(3,4,5-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-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166628499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).