5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide

C19H17F2N3O2S — CID 25127789

IUPAC5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide
SMILESCC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccccn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-10(9-25)11-6-13(20)17(14(21)7-11)15-8-12(18(22)26)19(27-15)24-16-4-2-3-5-23-16/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24)
InChIKeyVDDQNKDTFNFDME-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.03
Rot. Bonds6

About 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide

5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide (PubChem CID 25127789) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide
PubChem CID25127789
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide
SMILESCC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccccn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-10(9-25)11-6-13(20)17(14(21)7-11)15-8-12(18(22)26)19(27-15)24-16-4-2-3-5-23-16/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24)
InChIKeyVDDQNKDTFNFDME-UHFFFAOYSA-N
XLogP4.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.03
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-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide (CID 25127789) is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide is CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccccn3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide?
The InChIKey is VDDQNKDTFNFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-10(9-25)11-6-13(20)17(14(21)7-11)15-8-12(18(22)26)19(27-15)24-16-4-2-3-5-23-16/h2-8,10,25H,9H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide?
5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.03, 6 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-(1-hydroxypropan-2-yl)phenyl]-2-(pyridin-2-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 25127789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).