N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide

C15H20N2O3S — CID 3350277

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H20N2O3S/c1-2-19-12-5-7-13(8-6-12)20-10-3-4-14(18)17-15-16-9-11-21-15/h5-8H,2-4,9-11H2,1H3,(H,16,17,18)
InChIKeyIOQOARLOIBZNMB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.46
Rot. Bonds7

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide (PubChem CID 3350277) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
PubChem CID3350277
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H20N2O3S/c1-2-19-12-5-7-13(8-6-12)20-10-3-4-14(18)17-15-16-9-11-21-15/h5-8H,2-4,9-11H2,1H3,(H,16,17,18)
InChIKeyIOQOARLOIBZNMB-UHFFFAOYSA-N
XLogP2.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide (CID 3350277) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide is CCOc1ccc(OCCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide?
The InChIKey is IOQOARLOIBZNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-19-12-5-7-13(8-6-12)20-10-3-4-14(18)17-15-16-9-11-21-15/h5-8H,2-4,9-11H2,1H3,(H,16,17,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide has a molecular weight of 308.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide is sourced from PubChem (CID 3350277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).