4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C15H18N2O2S — CID 8919483

IUPAC4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)19-8-4-7-14(18)17-15-16-10-12(2)20-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyALCCCKJHMCHILS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.56
Rot. Bonds6

About 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 8919483) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID8919483
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)19-8-4-7-14(18)17-15-16-10-12(2)20-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyALCCCKJHMCHILS-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 8919483) is 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ALCCCKJHMCHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)19-8-4-7-14(18)17-15-16-10-12(2)20-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide 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 4-(3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 8919483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).