2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide

C16H16N2OS — CID 47378517

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCCc1nc(CC(=O)NCC#Cc2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c1-2-16-18-14(12-20-16)11-15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,10-11H2,1H3,(H,17,19)
InChIKeyZWQZUBLJZVCXBZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.42
Rot. Bonds4

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 47378517) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID47378517
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCCc1nc(CC(=O)NCC#Cc2ccccc2)cs1
InChIInChI=1S/C16H16N2OS/c1-2-16-18-14(12-20-16)11-15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,10-11H2,1H3,(H,17,19)
InChIKeyZWQZUBLJZVCXBZ-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 47466332
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
2-[[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119253619
2-(2-ethyl-1,3-thiazol-4-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436192
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
2-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 119224070
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119526028
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 31871936
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
CID 24646797
N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide (CID 47378517) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide is CCc1nc(CC(=O)NCC#Cc2ccccc2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is ZWQZUBLJZVCXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-16-18-14(12-20-16)11-15(19)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 47378517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).