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

C15H13FN6OS — CID 934277

IUPAC2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1
InChIInChI=1S/C15H13FN6OS/c16-11-3-5-12(6-4-11)19-13(23)9-24-15-21-20-14(22(15)17)10-2-1-7-18-8-10/h1-8H,9,17H2,(H,19,23)
InChIKeyWRGKPHUICCMMAB-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.92
Rot. Bonds5

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

2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 934277) has the molecular formula C15H13FN6OS and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID934277
Molecular FormulaC15H13FN6OS
Molecular Weight344.38 g/mol
Exact Mass344.09
IUPAC Name2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESNn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1
InChIInChI=1S/C15H13FN6OS/c16-11-3-5-12(6-4-11)19-13(23)9-24-15-21-20-14(22(15)17)10-2-1-7-18-8-10/h1-8H,9,17H2,(H,19,23)
InChIKeyWRGKPHUICCMMAB-UHFFFAOYSA-N
XLogP1.92
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 934277) is 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccnc1.
What is the InChIKey of 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is WRGKPHUICCMMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6OS/c16-11-3-5-12(6-4-11)19-13(23)9-24-15-21-20-14(22(15)17)10-2-1-7-18-8-10/h1-8H,9,17H2,(H,19,23).
What are the key properties of 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 934277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).