N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide

C15H18N2O2S — CID 145420081

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCCc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-2-13-11-16-15(20-13)17-14(18)9-6-10-19-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyHJVAGZHHPZMEBX-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.50
Rot. Bonds7

About N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide

N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (PubChem CID 145420081) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
PubChem CID145420081
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCCc1cnc(NC(=O)CCCOc2ccccc2)s1
InChIInChI=1S/C15H18N2O2S/c1-2-13-11-16-15(20-13)17-14(18)9-6-10-19-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyHJVAGZHHPZMEBX-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
N1-(1,3-thiazol-2-yl)-3-(4-fluorophenoxy)propanamide
CID 2739506
US10913733, Example 42
CID 137361278
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973
(E)-3-(5-methylfuran-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2673021
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3909324
(5-Isopropyl-thiazol-2-yl)-carbamic acid phenyl ester
CID 44396098

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (CID 145420081) is N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is CCc1cnc(NC(=O)CCCOc2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The InChIKey is HJVAGZHHPZMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-13-11-16-15(20-13)17-14(18)9-6-10-19-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide has a molecular weight of 290.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 145420081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).