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

C15H18N2O2S — CID 47149286

IUPAC4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2C)s1
InChIInChI=1S/C15H18N2O2S/c1-11-6-3-4-7-13(11)19-9-5-8-14(18)17-15-16-10-12(2)20-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyTWFLTFLHJGWZLJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.56
Rot. Bonds6

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

4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47149286) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47149286
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2C)s1
InChIInChI=1S/C15H18N2O2S/c1-11-6-3-4-7-13(11)19-9-5-8-14(18)17-15-16-10-12(2)20-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyTWFLTFLHJGWZLJ-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-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 47149286) is 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccccc2C)s1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is TWFLTFLHJGWZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-3-4-7-13(11)19-9-5-8-14(18)17-15-16-10-12(2)20-15/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(2-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-(2-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47149286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).