5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole

C17H12F4N2S — CID 137427020

IUPAC5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole
SMILESFc1ccc(C(Cc2cncs2)C(F)(F)c2ccccn2)c(F)c1
InChIInChI=1S/C17H12F4N2S/c18-11-4-5-13(15(19)7-11)14(8-12-9-22-10-24-12)17(20,21)16-3-1-2-6-23-16/h1-7,9-10,14H,8H2
InChIKeyVAFMNDKQUPJFMC-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.93
Rot. Bonds5

About 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole

5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole (PubChem CID 137427020) has the molecular formula C17H12F4N2S and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole
PubChem CID137427020
Molecular FormulaC17H12F4N2S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole
SMILESFc1ccc(C(Cc2cncs2)C(F)(F)c2ccccn2)c(F)c1
InChIInChI=1S/C17H12F4N2S/c18-11-4-5-13(15(19)7-11)14(8-12-9-22-10-24-12)17(20,21)16-3-1-2-6-23-16/h1-7,9-10,14H,8H2
InChIKeyVAFMNDKQUPJFMC-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole?
The IUPAC name of 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole (CID 137427020) is 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole?
The canonical SMILES for 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole is Fc1ccc(C(Cc2cncs2)C(F)(F)c2ccccn2)c(F)c1.
What is the InChIKey of 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole?
The InChIKey is VAFMNDKQUPJFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2S/c18-11-4-5-13(15(19)7-11)14(8-12-9-22-10-24-12)17(20,21)16-3-1-2-6-23-16/h1-7,9-10,14H,8H2.
What are the key properties of 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole?
5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole has a molecular weight of 352.36 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenyl)-3,3-difluoro-3-pyridin-2-ylpropyl]-1,3-thiazole is sourced from PubChem (CID 137427020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).