[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone

C24H23FN4O2S — CID 97446669

IUPAC[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccc(F)cc5)ccc34)s2)CC1
InChIInChI=1S/C24H23FN4O2S/c1-28(2)18-9-11-29(12-10-18)24(30)21-14-26-23(32-21)22-19-8-5-16(13-20(19)31-27-22)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyZJAUNYQMLBKZCW-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.92
Rot. Bonds4

About [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone (PubChem CID 97446669) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
PubChem CID97446669
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccc(F)cc5)ccc34)s2)CC1
InChIInChI=1S/C24H23FN4O2S/c1-28(2)18-9-11-29(12-10-18)24(30)21-14-26-23(32-21)22-19-8-5-16(13-20(19)31-27-22)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3
InChIKeyZJAUNYQMLBKZCW-UHFFFAOYSA-N
XLogP4.92
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone (CID 97446669) is [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone is CN(C)C1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccc(F)cc5)ccc34)s2)CC1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone?
The InChIKey is ZJAUNYQMLBKZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-28(2)18-9-11-29(12-10-18)24(30)21-14-26-23(32-21)22-19-8-5-16(13-20(19)31-27-22)15-3-6-17(25)7-4-15/h3-8,13-14,18H,9-12H2,1-2H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 97446669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).