5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide

C19H17F2N3O2S — CID 44610211

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccncc3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-19(2,26)10-7-13(20)16(14(21)8-10)15-9-12(17(22)25)18(27-15)24-11-3-5-23-6-4-11/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyFZIAHGXVOPYJFO-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.16
Rot. Bonds5

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide (PubChem CID 44610211) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide
PubChem CID44610211
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccncc3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-19(2,26)10-7-13(20)16(14(21)8-10)15-9-12(17(22)25)18(27-15)24-11-3-5-23-6-4-11/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyFZIAHGXVOPYJFO-UHFFFAOYSA-N
XLogP4.16
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide (CID 44610211) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccncc3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide?
The InChIKey is FZIAHGXVOPYJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-19(2,26)10-7-13(20)16(14(21)8-10)15-9-12(17(22)25)18(27-15)24-11-3-5-23-6-4-11/h3-9,26H,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(pyridin-4-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 44610211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).