4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

C15H9F3N2OS — CID 86277531

IUPAC4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)21-12-5-3-10(4-6-12)14-20-13(9-22-14)11-2-1-7-19-8-11/h1-9H
InChIKeyDYMJCJAMAHAUJH-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.77
Rot. Bonds3

About 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 86277531) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
PubChem CID86277531
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)21-12-5-3-10(4-6-12)14-20-13(9-22-14)11-2-1-7-19-8-11/h1-9H
InChIKeyDYMJCJAMAHAUJH-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 86277531) is 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is FC(F)(F)Oc1ccc(-c2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
The InChIKey is DYMJCJAMAHAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c16-15(17,18)21-12-5-3-10(4-6-12)14-20-13(9-22-14)11-2-1-7-19-8-11/h1-9H.
What are the key properties of 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?
4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 322.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 86277531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).