2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C14H9F3N2O2S — CID 137362895

IUPAC2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)11-6-18-13(22-11)19-12(20)5-8-7-21-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H,18,19,20)
InChIKeyTXBVLWLCMSSGNF-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.09
Rot. Bonds3

About 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 137362895) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID137362895
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H9F3N2O2S/c15-14(16,17)11-6-18-13(22-11)19-12(20)5-8-7-21-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H,18,19,20)
InChIKeyTXBVLWLCMSSGNF-UHFFFAOYSA-N
XLogP4.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 142495586
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
2-(6-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 137363295
6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
CID 167951864
2-(1-benzofuran-3-yl)-N-(3-fluorophenyl)acetamide
CID 110862760
2-(1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 110463851
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 87608815
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
2-(6-chloro-1-benzofuran-3-yl)-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]acetamide
CID 142495562
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2501755

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 137362895) is 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXBVLWLCMSSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c15-14(16,17)11-6-18-13(22-11)19-12(20)5-8-7-21-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H,18,19,20).
What are the key properties of 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 326.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137362895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).