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

C21H19FN2O2S — CID 166839631

IUPAC[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H19FN2O2S/c22-17-7-5-15(6-8-17)20-23-13-19(27-20)14-1-3-16(4-2-14)21(26)24-11-9-18(25)10-12-24/h1-8,13,18,25H,9-12H2
InChIKeyUNGSHCRLMYQYJA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.21
Rot. Bonds3

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

[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 166839631) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID166839631
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1)N1CCC(O)CC1
InChIInChI=1S/C21H19FN2O2S/c22-17-7-5-15(6-8-17)20-23-13-19(27-20)14-1-3-16(4-2-14)21(26)24-11-9-18(25)10-12-24/h1-8,13,18,25H,9-12H2
InChIKeyUNGSHCRLMYQYJA-UHFFFAOYSA-N
XLogP4.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 166839631) is [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(-c2cnc(-c3ccc(F)cc3)s2)cc1)N1CCC(O)CC1.
What is the InChIKey of [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is UNGSHCRLMYQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c22-17-7-5-15(6-8-17)20-23-13-19(27-20)14-1-3-16(4-2-14)21(26)24-11-9-18(25)10-12-24/h1-8,13,18,25H,9-12H2.
What are the key properties of [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 382.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 166839631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).