N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide

C17H20N2O4S — CID 91934546

IUPACN-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-3-4-15(20)18-9-10-23-13-7-5-12(6-8-13)11-14-16(21)19-17(22)24-14/h2,5-8,21H,1,3-4,9-11H2,(H,18,20)(H,19,22)
InChIKeyITEIPWYIGUENJY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.19
Rot. Bonds9

About N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide

N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide (PubChem CID 91934546) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide.

Molecular Properties

Compound NameN-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide
PubChem CID91934546
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide
SMILESC=CCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-3-4-15(20)18-9-10-23-13-7-5-12(6-8-13)11-14-16(21)19-17(22)24-14/h2,5-8,21H,1,3-4,9-11H2,(H,18,20)(H,19,22)
InChIKeyITEIPWYIGUENJY-UHFFFAOYSA-N
XLogP2.19
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide?
The IUPAC name of N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide (CID 91934546) is N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide.
What is the SMILES notation for N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide?
The canonical SMILES for N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide is C=CCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1.
What is the InChIKey of N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide?
The InChIKey is ITEIPWYIGUENJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-3-4-15(20)18-9-10-23-13-7-5-12(6-8-13)11-14-16(21)19-17(22)24-14/h2,5-8,21H,1,3-4,9-11H2,(H,18,20)(H,19,22).
What are the key properties of N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide?
N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide has a molecular weight of 348.42 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]pent-4-enamide is sourced from PubChem (CID 91934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).