2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C16H12F2N4O2S — CID 58349271

IUPAC2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIInChI=1S/C16H12F2N4O2S/c1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h2-4,6-9H,5H2,1H3
InChIKeyZNDZBFJZALVLEJ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.66
Rot. Bonds6

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349271) has the molecular formula C16H12F2N4O2S and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349271
Molecular FormulaC16H12F2N4O2S
Molecular Weight362.36 g/mol
Exact Mass362.06
IUPAC Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIInChI=1S/C16H12F2N4O2S/c1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h2-4,6-9H,5H2,1H3
InChIKeyZNDZBFJZALVLEJ-UHFFFAOYSA-N
XLogP3.66
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
CID 58349307
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79820339
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349271) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is ZNDZBFJZALVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2S/c1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h2-4,6-9H,5H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 362.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).