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

C16H20N2O3S — CID 3343017

IUPAC4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-20-13-6-8-14(9-7-13)21-10-4-5-15(19)18-16-17-11-12(2)22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyCRSUDUDCEIPYIX-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.65
Rot. Bonds8

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

4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 3343017) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID3343017
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1
InChIInChI=1S/C16H20N2O3S/c1-3-20-13-6-8-14(9-7-13)21-10-4-5-15(19)18-16-17-11-12(2)22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyCRSUDUDCEIPYIX-UHFFFAOYSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.65
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

3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 3343017) is 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is CCOc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is CRSUDUDCEIPYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-3-20-13-6-8-14(9-7-13)21-10-4-5-15(19)18-16-17-11-12(2)22-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 320.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).