5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

C16H19F3N2S — CID 175098815

IUPAC5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1cccc(C2=NCC(CC3CCNCC3)S2)c1
InChIInChI=1S/C16H19F3N2S/c17-16(18,19)13-3-1-2-12(9-13)15-21-10-14(22-15)8-11-4-6-20-7-5-11/h1-3,9,11,14,20H,4-8,10H2
InChIKeyJBJRYRQAUAIEII-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.96
Rot. Bonds3

About 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 175098815) has the molecular formula C16H19F3N2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID175098815
Molecular FormulaC16H19F3N2S
Molecular Weight328.40 g/mol
Exact Mass328.12
IUPAC Name5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1cccc(C2=NCC(CC3CCNCC3)S2)c1
InChIInChI=1S/C16H19F3N2S/c17-16(18,19)13-3-1-2-12(9-13)15-21-10-14(22-15)8-11-4-6-20-7-5-11/h1-3,9,11,14,20H,4-8,10H2
InChIKeyJBJRYRQAUAIEII-UHFFFAOYSA-N
XLogP3.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 175098815) is 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is FC(F)(F)c1cccc(C2=NCC(CC3CCNCC3)S2)c1.
What is the InChIKey of 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is JBJRYRQAUAIEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2S/c17-16(18,19)13-3-1-2-12(9-13)15-21-10-14(22-15)8-11-4-6-20-7-5-11/h1-3,9,11,14,20H,4-8,10H2.
What are the key properties of 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 328.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 175098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).