N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H11FN4OS — CID 8706106

IUPACN-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C11H11FN4OS/c12-9-3-1-8(2-4-9)5-13-10(17)6-18-11-14-7-15-16-11/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16)
InChIKeyJWNDULYFFIURQQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 8706106) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID8706106
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C11H11FN4OS/c12-9-3-1-8(2-4-9)5-13-10(17)6-18-11-14-7-15-16-11/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16)
InChIKeyJWNDULYFFIURQQ-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 8706106) is N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is JWNDULYFFIURQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c12-9-3-1-8(2-4-9)5-13-10(17)6-18-11-14-7-15-16-11/h1-4,7H,5-6H2,(H,13,17)(H,14,15,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 8706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).