4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole

C20H18F3N3S — CID 2746226

IUPAC4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(c2ccc(-c3nc(-c4ccccc4)cs3)cn2)CC1
InChIInChI=1S/C20H18F3N3S/c21-20(22,23)16-8-10-26(11-9-16)18-7-6-15(12-24-18)19-25-17(13-27-19)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2
InChIKeyPZPLMSPVNLBZAR-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.65
Rot. Bonds3

About 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole

4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole (PubChem CID 2746226) has the molecular formula C20H18F3N3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole
PubChem CID2746226
Molecular FormulaC20H18F3N3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(c2ccc(-c3nc(-c4ccccc4)cs3)cn2)CC1
InChIInChI=1S/C20H18F3N3S/c21-20(22,23)16-8-10-26(11-9-16)18-7-6-15(12-24-18)19-25-17(13-27-19)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2
InChIKeyPZPLMSPVNLBZAR-UHFFFAOYSA-N
XLogP5.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole (CID 2746226) is 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole is FC(F)(F)C1CCN(c2ccc(-c3nc(-c4ccccc4)cs3)cn2)CC1.
What is the InChIKey of 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole?
The InChIKey is PZPLMSPVNLBZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3S/c21-20(22,23)16-8-10-26(11-9-16)18-7-6-15(12-24-18)19-25-17(13-27-19)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2.
What are the key properties of 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole?
4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole has a molecular weight of 389.45 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 2746226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).