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

C22H20FN5O3S — CID 59525819

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525819) has the molecular formula C22H20FN5O3S and a molecular weight of 453.50 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59525819
• Molecular Formula: C22H20FN5O3S
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.13
• IUPAC Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: Cc1nnc(-c2ccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)nc2)o1
• InChI: InChI=1S/C22H20FN5O3S/c1-11-27-28-20(31-11)12-4-7-18(25-10-12)26-21-15(19(24)29)9-17(32-21)14-6-5-13(8-16(14)23)22(2,3)30/h4-10,30H,1-3H3,(H2,24,29)(H,25,26)
• InChIKey: CQRIAKDUGPMURM-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 127.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525819) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nnc(-c2ccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)nc2)o1.

What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is CQRIAKDUGPMURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S/c1-11-27-28-20(31-11)12-4-7-18(25-10-12)26-21-15(19(24)29)9-17(32-21)14-6-5-13(8-16(14)23)22(2,3)30/h4-10,30H,1-3H3,(H2,24,29)(H,25,26).

What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).