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

C15H18N2O2S — CID 2480904

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCc1nc(NC(=O)CCCOc2ccccc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-11-12(2)20-15(16-11)17-14(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyZVGGYFXTNLKDSE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.56
Rot. Bonds6

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (PubChem CID 2480904) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
PubChem CID2480904
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide
SMILESCc1nc(NC(=O)CCCOc2ccccc2)sc1C
InChIInChI=1S/C15H18N2O2S/c1-11-12(2)20-15(16-11)17-14(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyZVGGYFXTNLKDSE-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide (CID 2480904) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is Cc1nc(NC(=O)CCCOc2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
The InChIKey is ZVGGYFXTNLKDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-12(2)20-15(16-11)17-14(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide has a molecular weight of 290.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 2480904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).