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

C15H18N2O3S — CID 145420104

IUPAC4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C15H18N2O3S/c1-11-10-16-15(21-11)17-14(18)8-5-9-20-13-7-4-3-6-12(13)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGFOPAGUZFMSOHR-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.26
Rot. Bonds7

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

4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420104) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420104
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCOc1ccccc1OCCCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C15H18N2O3S/c1-11-10-16-15(21-11)17-14(18)8-5-9-20-13-7-4-3-6-12(13)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyGFOPAGUZFMSOHR-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.26
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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Related Compounds

2-Amino-5-thio-substituted thiazole 69
CID 5329705
4-(2-methoxyphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1631626
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
4-phenoxy-N-(1,3-thiazol-2-yl)butanamide
CID 1570036
3-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 977973
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2673081
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3909324
4-(3-chlorophenoxy)-N-(5-cyanothiazol-2-yl)butanamide
CID 155518767
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
4-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1568895
3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2110385
3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2445798

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420104) is 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is COc1ccccc1OCCCC(=O)Nc1ncc(C)s1.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is GFOPAGUZFMSOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-10-16-15(21-11)17-14(18)8-5-9-20-13-7-4-3-6-12(13)19-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 306.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).