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

C16H14FN5OS — CID 714819

IUPACN-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1
InChIInChI=1S/C16H14FN5OS/c1-22-15(11-4-3-7-18-9-11)20-21-16(22)24-10-14(23)19-13-6-2-5-12(17)8-13/h2-9H,10H2,1H3,(H,19,23)
InChIKeyCVFRDTKNJCVSDJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.75
Rot. Bonds5

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

N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 714819) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID714819
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1
InChIInChI=1S/C16H14FN5OS/c1-22-15(11-4-3-7-18-9-11)20-21-16(22)24-10-14(23)19-13-6-2-5-12(17)8-13/h2-9H,10H2,1H3,(H,19,23)
InChIKeyCVFRDTKNJCVSDJ-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 714819) is N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is CVFRDTKNJCVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-22-15(11-4-3-7-18-9-11)20-21-16(22)24-10-14(23)19-13-6-2-5-12(17)8-13/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 714819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).