N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H13FN4OS2 — CID 17394264

IUPACN-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C15H13FN4OS2/c1-9-4-5-10(16)7-11(9)17-13(21)8-23-15-18-14(19-20-15)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJQAQHTUKENEKGE-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.71
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 17394264) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID17394264
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C15H13FN4OS2/c1-9-4-5-10(16)7-11(9)17-13(21)8-23-15-18-14(19-20-15)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyJQAQHTUKENEKGE-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 17394264) is N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1ccc(F)cc1NC(=O)CSc1n[nH]c(-c2cccs2)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is JQAQHTUKENEKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-9-4-5-10(16)7-11(9)17-13(21)8-23-15-18-14(19-20-15)12-3-2-6-22-12/h2-7H,8H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 17394264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).