5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine

C17H11F4N7OS — CID 162722518

IUPAC5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCn1c(Sc2c(F)cc(-c3nnc(C(F)F)o3)cc2F)nnc1-c1ccc(N)nc1
InChIInChI=1S/C17H11F4N7OS/c1-28-14(7-2-3-11(22)23-6-7)24-27-17(28)30-12-9(18)4-8(5-10(12)19)15-25-26-16(29-15)13(20)21/h2-6,13H,1H3,(H2,22,23)
InChIKeyQFZSHQHMLWNRII-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.88
Rot. Bonds5

About 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine

5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 162722518) has the molecular formula C17H11F4N7OS and a molecular weight of 437.38 g/mol. Its IUPAC name is 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID162722518
Molecular FormulaC17H11F4N7OS
Molecular Weight437.38 g/mol
Exact Mass437.07
IUPAC Name5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCn1c(Sc2c(F)cc(-c3nnc(C(F)F)o3)cc2F)nnc1-c1ccc(N)nc1
InChIInChI=1S/C17H11F4N7OS/c1-28-14(7-2-3-11(22)23-6-7)24-27-17(28)30-12-9(18)4-8(5-10(12)19)15-25-26-16(29-15)13(20)21/h2-6,13H,1H3,(H2,22,23)
InChIKeyQFZSHQHMLWNRII-UHFFFAOYSA-N
XLogP3.88
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine (CID 162722518) is 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]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]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine is Cn1c(Sc2c(F)cc(-c3nnc(C(F)F)o3)cc2F)nnc1-c1ccc(N)nc1.
What is the InChIKey of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is QFZSHQHMLWNRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N7OS/c1-28-14(7-2-3-11(22)23-6-7)24-27-17(28)30-12-9(18)4-8(5-10(12)19)15-25-26-16(29-15)13(20)21/h2-6,13H,1H3,(H2,22,23).
What are the key properties of 5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine?
5-[5-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 437.38 g/mol, XLogP of 3.88, 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]-2,6-difluorophenyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162722518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).