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

C15H18N2O3S — CID 2561100

IUPAC4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(18)12-4-6-13(7-5-12)20-9-2-3-14(19)17-15-16-8-10-21-15/h4-7H,2-3,8-10H2,1H3,(H,16,17,19)
InChIKeyLVNSHJHTBSWJQG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds6

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

4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide (PubChem CID 2561100) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
PubChem CID2561100
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(18)12-4-6-13(7-5-12)20-9-2-3-14(19)17-15-16-8-10-21-15/h4-7H,2-3,8-10H2,1H3,(H,16,17,19)
InChIKeyLVNSHJHTBSWJQG-UHFFFAOYSA-N
XLogP2.27
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
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 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide (CID 2561100) is 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide is CC(=O)c1ccc(OCCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
The InChIKey is LVNSHJHTBSWJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(18)12-4-6-13(7-5-12)20-9-2-3-14(19)17-15-16-8-10-21-15/h4-7H,2-3,8-10H2,1H3,(H,16,17,19).
What are the key properties of 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide?
4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2561100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).