4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole

C16H16F4N2S — CID 83959732

IUPAC4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(C(F)(F)F)sc2CN2CCCCC2)cc1
InChIInChI=1S/C16H16F4N2S/c17-12-6-4-11(5-7-12)14-13(10-22-8-2-1-3-9-22)23-15(21-14)16(18,19)20/h4-7H,1-3,8-10H2
InChIKeyCEQCJPRMVOBVOY-UHFFFAOYSA-N
MW344.38 g/mol
LogP4.95
Rot. Bonds3

About 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole

4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 83959732) has the molecular formula C16H16F4N2S and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID83959732
Molecular FormulaC16H16F4N2S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC Name4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(C(F)(F)F)sc2CN2CCCCC2)cc1
InChIInChI=1S/C16H16F4N2S/c17-12-6-4-11(5-7-12)14-13(10-22-8-2-1-3-9-22)23-15(21-14)16(18,19)20/h4-7H,1-3,8-10H2
InChIKeyCEQCJPRMVOBVOY-UHFFFAOYSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole (CID 83959732) is 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is Fc1ccc(-c2nc(C(F)(F)F)sc2CN2CCCCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CEQCJPRMVOBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2S/c17-12-6-4-11(5-7-12)14-13(10-22-8-2-1-3-9-22)23-15(21-14)16(18,19)20/h4-7H,1-3,8-10H2.
What are the key properties of 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole?
4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 344.38 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 83959732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).