5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine

C17H13F2N7OS — CID 162722568

IUPAC5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCn1c(Sc2ccc(-c3nnc(C(F)F)o3)cc2)nnc1-c1ccc(N)nc1
InChIInChI=1S/C17H13F2N7OS/c1-26-14(10-4-7-12(20)21-8-10)22-25-17(26)28-11-5-2-9(3-6-11)15-23-24-16(27-15)13(18)19/h2-8,13H,1H3,(H2,20,21)
InChIKeyONSYASCMMYRTOH-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.60
Rot. Bonds5

About 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine

5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 162722568) has the molecular formula C17H13F2N7OS and a molecular weight of 401.40 g/mol. Its IUPAC name is 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID162722568
Molecular FormulaC17H13F2N7OS
Molecular Weight401.40 g/mol
Exact Mass401.09
IUPAC Name5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCn1c(Sc2ccc(-c3nnc(C(F)F)o3)cc2)nnc1-c1ccc(N)nc1
InChIInChI=1S/C17H13F2N7OS/c1-26-14(10-4-7-12(20)21-8-10)22-25-17(26)28-11-5-2-9(3-6-11)15-23-24-16(27-15)13(18)19/h2-8,13H,1H3,(H2,20,21)
InChIKeyONSYASCMMYRTOH-UHFFFAOYSA-N
XLogP3.60
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Fluorophenyl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2504284
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-2-amine
CID 162722266
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine
CID 162722346
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine
CID 162722468
2-(difluoromethyl)-5-(4-((5-(6-(piperazin-1-yl)pyridin-3-yl)-2H-tetrazol-2-yl)methyl)phenyl)-1,3,4-oxadiazole
CID 162722479
5-(5-((4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,6-difluorophenyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridin-2-amine
CID 162722518
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]pyridin-2-amine
CID 168679614
US12202823, Example 4
CID 155212941
3-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 4843859
2-(4,5,6,7-Tetrahydro-1-benzothiophen-2-yl)-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 8105533
2-(5-Ethyl-4-methylthiophen-2-yl)-5-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8850565
2,6-difluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]benzamide
CID 24876237

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine (CID 162722568) is 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine is Cn1c(Sc2ccc(-c3nnc(C(F)F)o3)cc2)nnc1-c1ccc(N)nc1.
What is the InChIKey of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is ONSYASCMMYRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7OS/c1-26-14(10-4-7-12(20)21-8-10)22-25-17(26)28-11-5-2-9(3-6-11)15-23-24-16(27-15)13(18)19/h2-8,13H,1H3,(H2,20,21).
What are the key properties of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 401.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162722568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).