1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C25H24FN3O2S — CID 67309885

IUPAC1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCc4ccccc43)cs2)CC1
InChIInChI=1S/C25H24FN3O2S/c26-20-7-5-17(6-8-20)15-23(30)28-12-9-19(10-13-28)24-27-21(16-32-24)25(31)29-14-11-18-3-1-2-4-22(18)29/h1-8,16,19H,9-15H2
InChIKeyLVSHDVRJKLDSMD-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 67309885) has the molecular formula C25H24FN3O2S and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID67309885
Molecular FormulaC25H24FN3O2S
Molecular Weight449.55 g/mol
Exact Mass449.16
IUPAC Name1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCc4ccccc43)cs2)CC1
InChIInChI=1S/C25H24FN3O2S/c26-20-7-5-17(6-8-20)15-23(30)28-12-9-19(10-13-28)24-27-21(16-32-24)25(31)29-14-11-18-3-1-2-4-22(18)29/h1-8,16,19H,9-15H2
InChIKeyLVSHDVRJKLDSMD-UHFFFAOYSA-N
XLogP4.43
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 67309885) is 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCc4ccccc43)cs2)CC1.
What is the InChIKey of 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is LVSHDVRJKLDSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2S/c26-20-7-5-17(6-8-20)15-23(30)28-12-9-19(10-13-28)24-27-21(16-32-24)25(31)29-14-11-18-3-1-2-4-22(18)29/h1-8,16,19H,9-15H2.
What are the key properties of 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 449.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 67309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).