2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

C24H28FN5O4S — CID 45101999

About 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 45101999) has the molecular formula C24H28FN5O4S and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
• PubChem CID: 45101999
• Molecular Formula: C24H28FN5O4S
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.18
• IUPAC Name: 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
• SMILES: CC(C)(O)c1ccc(-c2nc(C(N)=O)c(Nc3cccc(C(CO)N4CCOCC4)n3)s2)c(F)c1
• InChI: InChI=1S/C24H28FN5O4S/c1-24(2,33)14-6-7-15(16(25)12-14)22-29-20(21(26)32)23(35-22)28-19-5-3-4-17(27-19)18(13-31)30-8-10-34-11-9-30/h3-7,12,18,31,33H,8-11,13H2,1-2H3,(H2,26,32)(H,27,28)
• InChIKey: ZGQDIDLYNRBWSY-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 133.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (CID 45101999) is 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is CC(C)(O)c1ccc(-c2nc(C(N)=O)c(Nc3cccc(C(CO)N4CCOCC4)n3)s2)c(F)c1.

What is the InChIKey of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?

The InChIKey is ZGQDIDLYNRBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O4S/c1-24(2,33)14-6-7-15(16(25)12-14)22-29-20(21(26)32)23(35-22)28-19-5-3-4-17(27-19)18(13-31)30-8-10-34-11-9-30/h3-7,12,18,31,33H,8-11,13H2,1-2H3,(H2,26,32)(H,27,28).

What are the key properties of 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?

2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 501.58 g/mol, XLogP of 2.78, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-[[6-(2-hydroxy-1-morpholin-4-ylethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45101999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).