4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole

C15H17FN2S — CID 623915

IUPAC4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C15H17FN2S/c1-11-6-8-18(9-7-11)15-17-14(10-19-15)12-2-4-13(16)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyOIFXKIIAEHFXDE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.19
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole

4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 623915) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID623915
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C15H17FN2S/c1-11-6-8-18(9-7-11)15-17-14(10-19-15)12-2-4-13(16)5-3-12/h2-5,10-11H,6-9H2,1H3
InChIKeyOIFXKIIAEHFXDE-UHFFFAOYSA-N
XLogP4.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole (CID 623915) is 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole is CC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is OIFXKIIAEHFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-11-6-8-18(9-7-11)15-17-14(10-19-15)12-2-4-13(16)5-3-12/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 276.38 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 623915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).