N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide

C18H13F2N5O2S — CID 66779429

IUPACN-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCc1nc(-c2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)n(C)n2)no1
InChIInChI=1S/C18H13F2N5O2S/c1-9-21-17(24-27-9)12-8-13(25(2)23-12)14-6-7-15(28-14)18(26)22-16-10(19)4-3-5-11(16)20/h3-8H,1-2H3,(H,22,26)
InChIKeyJEUFZNLGKWYQKO-UHFFFAOYSA-N
MW401.40 g/mol
LogP4.04
Rot. Bonds4

About N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide

N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 66779429) has the molecular formula C18H13F2N5O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide
PubChem CID66779429
Molecular FormulaC18H13F2N5O2S
Molecular Weight401.40 g/mol
Exact Mass401.08
IUPAC NameN-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide
SMILESCc1nc(-c2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)n(C)n2)no1
InChIInChI=1S/C18H13F2N5O2S/c1-9-21-17(24-27-9)12-8-13(25(2)23-12)14-6-7-15(28-14)18(26)22-16-10(19)4-3-5-11(16)20/h3-8H,1-2H3,(H,22,26)
InChIKeyJEUFZNLGKWYQKO-UHFFFAOYSA-N
XLogP4.04
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide (CID 66779429) is N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide is Cc1nc(-c2cc(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)n(C)n2)no1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is JEUFZNLGKWYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2S/c1-9-21-17(24-27-9)12-8-13(25(2)23-12)14-6-7-15(28-14)18(26)22-16-10(19)4-3-5-11(16)20/h3-8H,1-2H3,(H,22,26).
What are the key properties of N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide?
N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 66779429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).