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

C16H20N2O2S — CID 108760280

IUPAC4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CCCOc2ccccc2C)cs1
InChIInChI=1S/C16H20N2O2S/c1-12-6-3-4-7-15(12)20-9-5-8-16(19)17-10-14-11-21-13(2)18-14/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyBJLHRGRTPQNURK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.24
Rot. Bonds7

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

4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 108760280) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID108760280
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nc(CNC(=O)CCCOc2ccccc2C)cs1
InChIInChI=1S/C16H20N2O2S/c1-12-6-3-4-7-15(12)20-9-5-8-16(19)17-10-14-11-21-13(2)18-14/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)
InChIKeyBJLHRGRTPQNURK-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.24
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

4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751389
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
3-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61281880
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide (CID 108760280) is 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is Cc1nc(CNC(=O)CCCOc2ccccc2C)cs1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is BJLHRGRTPQNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-6-3-4-7-15(12)20-9-5-8-16(19)17-10-14-11-21-13(2)18-14/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide?
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 108760280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).