N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

C19H18N2O2S — CID 43836639

IUPACN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-17(12-15-8-4-2-5-9-15)24-19(20-14)21-18(22)13-23-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,21,22)
InChIKeyHJXGLLRHVPPRBV-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.06
Rot. Bonds6

About N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide

N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (PubChem CID 43836639) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
PubChem CID43836639
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESCc1nc(NC(=O)COc2ccccc2)sc1Cc1ccccc1
InChIInChI=1S/C19H18N2O2S/c1-14-17(12-15-8-4-2-5-9-15)24-19(20-14)21-18(22)13-23-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,21,22)
InChIKeyHJXGLLRHVPPRBV-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 N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide (CID 43836639) is N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is Cc1nc(NC(=O)COc2ccccc2)sc1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is HJXGLLRHVPPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-17(12-15-8-4-2-5-9-15)24-19(20-14)21-18(22)13-23-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide?
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide 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 N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 43836639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).