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

C14H11FN4O2S — CID 2219479

IUPACN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2S/c15-9-3-5-10(6-4-9)16-12(20)8-22-14-17-13(18-19-14)11-2-1-7-21-11/h1-7H,8H2,(H,16,20)(H,17,18,19)
InChIKeySVQWBNHEICBERZ-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.93
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2219479) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2219479
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC NameN-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN4O2S/c15-9-3-5-10(6-4-9)16-12(20)8-22-14-17-13(18-19-14)11-2-1-7-21-11/h1-7H,8H2,(H,16,20)(H,17,18,19)
InChIKeySVQWBNHEICBERZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2219479) is N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is SVQWBNHEICBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-9-3-5-10(6-4-9)16-12(20)8-22-14-17-13(18-19-14)11-2-1-7-21-11/h1-7H,8H2,(H,16,20)(H,17,18,19).
What are the key properties of N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 318.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2219479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).