[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone

C24H21FN4O2S — CID 10204154

IUPAC[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21FN4O2S/c25-18-11-9-16(10-12-18)22-21(26-15-32-22)24(30)29-13-5-4-8-19(29)14-20-27-28-23(31-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2
InChIKeyWSXUYKOLROCVTO-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.24
Rot. Bonds5

About [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone

[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 10204154) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID10204154
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC Name[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C24H21FN4O2S/c25-18-11-9-16(10-12-18)22-21(26-15-32-22)24(30)29-13-5-4-8-19(29)14-20-27-28-23(31-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2
InChIKeyWSXUYKOLROCVTO-UHFFFAOYSA-N
XLogP5.24
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (CID 10204154) is [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1ncsc1-c1ccc(F)cc1)N1CCCCC1Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WSXUYKOLROCVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c25-18-11-9-16(10-12-18)22-21(26-15-32-22)24(30)29-13-5-4-8-19(29)14-20-27-28-23(31-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19H,4-5,8,13-14H2.
What are the key properties of [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
[5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 448.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10204154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).