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

C16H15FN6OS — CID 3851861

IUPAC2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1
InChIInChI=1S/C16H15FN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-6-4-3-5-11(12)17/h3-9H,2,10H2,1H3,(H,20,24)
InChIKeyYNHWBTGNALQWOK-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.62
Rot. Bonds6

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

2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 3851861) has the molecular formula C16H15FN6OS and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID3851861
Molecular FormulaC16H15FN6OS
Molecular Weight358.40 g/mol
Exact Mass358.10
IUPAC Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1
InChIInChI=1S/C16H15FN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-6-4-3-5-11(12)17/h3-9H,2,10H2,1H3,(H,20,24)
InChIKeyYNHWBTGNALQWOK-UHFFFAOYSA-N
XLogP2.62
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 3851861) is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is YNHWBTGNALQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-6-4-3-5-11(12)17/h3-9H,2,10H2,1H3,(H,20,24).
What are the key properties of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3851861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).