5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

C22H19F2N5O4S — CID 59526222

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C22H19F2N5O4S/c1-9-11(19-28-29-21(31)33-19)4-5-16(26-9)27-20-12(18(25)30)8-15(34-20)17-13(23)6-10(7-14(17)24)22(2,3)32/h4-8,32H,1-3H3,(H2,25,30)(H,26,27)(H,29,31)
InChIKeyNDWMINFTDANLMN-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.81
Rot. Bonds6

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526222) has the molecular formula C22H19F2N5O4S and a molecular weight of 487.49 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526222
Molecular FormulaC22H19F2N5O4S
Molecular Weight487.49 g/mol
Exact Mass487.11
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C22H19F2N5O4S/c1-9-11(19-28-29-21(31)33-19)4-5-16(26-9)27-20-12(18(25)30)8-15(34-20)17-13(23)6-10(7-14(17)24)22(2,3)32/h4-8,32H,1-3H3,(H2,25,30)(H,26,27)(H,29,31)
InChIKeyNDWMINFTDANLMN-UHFFFAOYSA-N
XLogP3.81
TPSA147.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526222) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1n[nH]c(=O)o1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is NDWMINFTDANLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O4S/c1-9-11(19-28-29-21(31)33-19)4-5-16(26-9)27-20-12(18(25)30)8-15(34-20)17-13(23)6-10(7-14(17)24)22(2,3)32/h4-8,32H,1-3H3,(H2,25,30)(H,26,27)(H,29,31).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-methyl-5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).