N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H16FN5O2S — CID 27377391

IUPACN-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C17H16FN5O2S/c1-22-9-11(6-7-15(22)25)16-20-21-17(23(16)2)26-10-14(24)19-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyMIYSYKRZDPDABV-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.05
Rot. Bonds5

About N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 27377391) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID27377391
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC NameN-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C17H16FN5O2S/c1-22-9-11(6-7-15(22)25)16-20-21-17(23(16)2)26-10-14(24)19-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyMIYSYKRZDPDABV-UHFFFAOYSA-N
XLogP2.05
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1262578
N-(3-fluorophenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 934101
N-(2,6-difluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17019621
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 63315183
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 16765456
3-[[2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
CID 1319491
N-(2-fluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500604
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121315785
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 2685094
N-(3-methoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1153812
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
4-[[2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 2637150

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 27377391) is N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(=O)n(C)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is MIYSYKRZDPDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-22-9-11(6-7-15(22)25)16-20-21-17(23(16)2)26-10-14(24)19-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 27377391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).