2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone

C18H14F2N2O2S — CID 58318785

IUPAC2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C18H14F2N2O2S/c1-18(19,20)16-11-25-17(22-16)9-15(23)12-4-2-5-13(8-12)24-14-6-3-7-21-10-14/h2-8,10-11H,9H2,1H3
InChIKeyCQNIMZLMUZYGKG-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.87
Rot. Bonds6

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 58318785) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone
PubChem CID58318785
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C18H14F2N2O2S/c1-18(19,20)16-11-25-17(22-16)9-15(23)12-4-2-5-13(8-12)24-14-6-3-7-21-10-14/h2-8,10-11H,9H2,1H3
InChIKeyCQNIMZLMUZYGKG-UHFFFAOYSA-N
XLogP4.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 58318785) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone?
The InChIKey is CQNIMZLMUZYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-18(19,20)16-11-25-17(22-16)9-15(23)12-4-2-5-13(8-12)24-14-6-3-7-21-10-14/h2-8,10-11H,9H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone?
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 360.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 58318785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).