2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide

C24H20FN3O5S — CID 24672567

IUPAC2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C24H20FN3O5S/c25-15-5-7-16(8-6-15)32-13-20-26-18(14-34-20)23(29)27-21-17-3-1-2-4-19(17)33-22(21)24(30)28-9-11-31-12-10-28/h1-8,14H,9-13H2,(H,27,29)
InChIKeyQIARCMYXYBBRSQ-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.33
Rot. Bonds6

About 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 24672567) has the molecular formula C24H20FN3O5S and a molecular weight of 481.51 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID24672567
Molecular FormulaC24H20FN3O5S
Molecular Weight481.51 g/mol
Exact Mass481.11
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C24H20FN3O5S/c25-15-5-7-16(8-6-15)32-13-20-26-18(14-34-20)23(29)27-21-17-3-1-2-4-19(17)33-22(21)24(30)28-9-11-31-12-10-28/h1-8,14H,9-13H2,(H,27,29)
InChIKeyQIARCMYXYBBRSQ-UHFFFAOYSA-N
XLogP4.33
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide (CID 24672567) is 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QIARCMYXYBBRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5S/c25-15-5-7-16(8-6-15)32-13-20-26-18(14-34-20)23(29)27-21-17-3-1-2-4-19(17)33-22(21)24(30)28-9-11-31-12-10-28/h1-8,14H,9-13H2,(H,27,29).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).