2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C19H18N2O2S — CID 4812535

IUPAC2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccccc2Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14-12-20-19(24-14)21-18(22)13-23-17-10-6-5-9-16(17)11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,20,21,22)
InChIKeyFTYNSKOZTCRGOR-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.06
Rot. Bonds6

About 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4812535) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4812535
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccccc2Cc2ccccc2)s1
InChIInChI=1S/C19H18N2O2S/c1-14-12-20-19(24-14)21-18(22)13-23-17-10-6-5-9-16(17)11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,20,21,22)
InChIKeyFTYNSKOZTCRGOR-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 4812535) is 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)COc2ccccc2Cc2ccccc2)s1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FTYNSKOZTCRGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-12-20-19(24-14)21-18(22)13-23-17-10-6-5-9-16(17)11-15-7-3-2-4-8-15/h2-10,12H,11,13H2,1H3,(H,20,21,22).
What are the key properties of 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4812535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).