[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone

C23H24FN3O3S2 — CID 11784751

IUPAC[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C23H24FN3O3S2/c1-16-6-2-3-7-18(16)22(28)20-15-26-23(31-20)25-14-17-10-12-27(13-11-17)32(29,30)21-9-5-4-8-19(21)24/h2-9,15,17H,10-14H2,1H3,(H,25,26)
InChIKeyXZVCWYHBAPMAHB-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.33
Rot. Bonds7

About [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone

[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone (PubChem CID 11784751) has the molecular formula C23H24FN3O3S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
PubChem CID11784751
Molecular FormulaC23H24FN3O3S2
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Name[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccccc3F)CC2)s1
InChIInChI=1S/C23H24FN3O3S2/c1-16-6-2-3-7-18(16)22(28)20-15-26-23(31-20)25-14-17-10-12-27(13-11-17)32(29,30)21-9-5-4-8-19(21)24/h2-9,15,17H,10-14H2,1H3,(H,25,26)
InChIKeyXZVCWYHBAPMAHB-UHFFFAOYSA-N
XLogP4.33
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone (CID 11784751) is [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cnc(NCC2CCN(S(=O)(=O)c3ccccc3F)CC2)s1.
What is the InChIKey of [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
The InChIKey is XZVCWYHBAPMAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S2/c1-16-6-2-3-7-18(16)22(28)20-15-26-23(31-20)25-14-17-10-12-27(13-11-17)32(29,30)21-9-5-4-8-19(21)24/h2-9,15,17H,10-14H2,1H3,(H,25,26).
What are the key properties of [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone?
[2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone has a molecular weight of 473.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methylamino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 11784751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).