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

C13H12N2O3S — CID 166626112

IUPAC(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)NO)s2)cc1
InChIInChI=1S/C13H12N2O3S/c1-18-10-4-2-9(3-5-10)13-14-8-11(19-13)6-7-12(16)15-17/h2-8,17H,1H3,(H,15,16)/b7-6+
InChIKeyWYBKIGFJGCLTQB-VOTSOKGWSA-N
MW276.32 g/mol
LogP2.34
Rot. Bonds4

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

(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (PubChem CID 166626112) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
PubChem CID166626112
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
SMILESCOc1ccc(-c2ncc(/C=C/C(=O)NO)s2)cc1
InChIInChI=1S/C13H12N2O3S/c1-18-10-4-2-9(3-5-10)13-14-8-11(19-13)6-7-12(16)15-17/h2-8,17H,1H3,(H,15,16)/b7-6+
InChIKeyWYBKIGFJGCLTQB-VOTSOKGWSA-N
XLogP2.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide (CID 166626112) is (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is COc1ccc(-c2ncc(/C=C/C(=O)NO)s2)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
The InChIKey is WYBKIGFJGCLTQB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-10-4-2-9(3-5-10)13-14-8-11(19-13)6-7-12(16)15-17/h2-8,17H,1H3,(H,15,16)/b7-6+.
What are the key properties of (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide has a molecular weight of 276.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide is sourced from PubChem (CID 166626112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).