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

C15H11F3N2O2S — CID 142495586

IUPAC3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)12-7-19-14(23-12)20-13(21)6-5-9-8-22-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,19,20,21)
InChIKeySTQIHWGVCASGNI-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.48
Rot. Bonds4

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

3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 142495586) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID142495586
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)12-7-19-14(23-12)20-13(21)6-5-9-8-22-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,19,20,21)
InChIKeySTQIHWGVCASGNI-UHFFFAOYSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 137362895
6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
CID 167951864
4-(1-benzofuran-3-yl)butanehydrazide
CID 116843663
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 87608815
2-(1-benzofuran-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110463883
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
phenyl 3-(1-benzofuran-3-yl)propanoate
CID 175332798
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 71590184
N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 23822147
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 142495586) is 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is STQIHWGVCASGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c16-15(17,18)12-7-19-14(23-12)20-13(21)6-5-9-8-22-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,19,20,21).
What are the key properties of 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 340.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 142495586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).