2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide

C17H22N2O2S — CID 7541020

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-4-5-10-21-16-8-6-14(7-9-16)19-17(20)11-15-12-22-13(2)18-15/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyGILGIROOKISKHF-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.20
Rot. Bonds8

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide (PubChem CID 7541020) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide
PubChem CID7541020
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)Cc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2O2S/c1-3-4-5-10-21-16-8-6-14(7-9-16)19-17(20)11-15-12-22-13(2)18-15/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyGILGIROOKISKHF-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.20
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 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide (CID 7541020) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide is CCCCCOc1ccc(NC(=O)Cc2csc(C)n2)cc1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide?
The InChIKey is GILGIROOKISKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-4-5-10-21-16-8-6-14(7-9-16)19-17(20)11-15-12-22-13(2)18-15/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pentoxyphenyl)acetamide is sourced from PubChem (CID 7541020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).