N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide

C14H16N2OS — CID 75520278

IUPACN-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(Cc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-11(17)15-8-7-14-16-13(10-18-14)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyAEZRGCQFPDYUHL-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide

N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 75520278) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID75520278
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nc(Cc2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c1-11(17)15-8-7-14-16-13(10-18-14)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17)
InChIKeyAEZRGCQFPDYUHL-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 70330114
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
CID 71923156
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
2-[[2-(2-benzyl-1,3-thiazol-4-yl)-1-carboxyethyl]amino]-4-methylpentanoic acid
CID 20596029
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 75520278) is N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nc(Cc2ccccc2)cs1.
What is the InChIKey of N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is AEZRGCQFPDYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(17)15-8-7-14-16-13(10-18-14)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide?
N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 75520278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).