2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C14H11FN4O2S — CID 71006068

IUPAC2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(F)Sc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C14H11FN4O2S/c15-11(13(20)16-9-5-2-1-3-6-9)22-14-17-12(18-19-14)10-7-4-8-21-10/h1-8,11H,(H,16,20)(H,17,18,19)
InChIKeyDTBPNBYAGOBWLL-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.09
Rot. Bonds5

About 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 71006068) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID71006068
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(F)Sc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C14H11FN4O2S/c15-11(13(20)16-9-5-2-1-3-6-9)22-14-17-12(18-19-14)10-7-4-8-21-10/h1-8,11H,(H,16,20)(H,17,18,19)
InChIKeyDTBPNBYAGOBWLL-UHFFFAOYSA-N
XLogP3.09
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 71006068) is 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is O=C(Nc1ccccc1)C(F)Sc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is DTBPNBYAGOBWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-11(13(20)16-9-5-2-1-3-6-9)22-14-17-12(18-19-14)10-7-4-8-21-10/h1-8,11H,(H,16,20)(H,17,18,19).
What are the key properties of 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 318.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 71006068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).