2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide

C16H20N2O3S — CID 4733269

IUPAC2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1cccc(OCC(=O)Nc2nccs2)c1
InChIInChI=1S/C16H20N2O3S/c1-2-3-4-9-20-13-6-5-7-14(11-13)21-12-15(19)18-16-17-8-10-22-16/h5-8,10-11H,2-4,9,12H2,1H3,(H,17,18,19)
InChIKeyVZUSSXIVJWSPQL-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.73
Rot. Bonds9

About 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide

2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4733269) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4733269
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCCOc1cccc(OCC(=O)Nc2nccs2)c1
InChIInChI=1S/C16H20N2O3S/c1-2-3-4-9-20-13-6-5-7-14(11-13)21-12-15(19)18-16-17-8-10-22-16/h5-8,10-11H,2-4,9,12H2,1H3,(H,17,18,19)
InChIKeyVZUSSXIVJWSPQL-UHFFFAOYSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.73
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

N-(1,3-benzothiazol-2-yl)-2-(3-heptoxyphenoxy)acetamide
CID 4733411
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 46266687
3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 47098019
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
CID 4733397
N-(2,3-dichlorophenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733346
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 4733269) is 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide is CCCCCOc1cccc(OCC(=O)Nc2nccs2)c1.
What is the InChIKey of 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VZUSSXIVJWSPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-3-4-9-20-13-6-5-7-14(11-13)21-12-15(19)18-16-17-8-10-22-16/h5-8,10-11H,2-4,9,12H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.41 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4733269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).