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

C16H13FN4O2S — CID 58349272

IUPAC2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIInChI=1S/C16H13FN4O2S/c1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h2-4,6-10H,5H2,1H3
InChIKeyVJXJKLIYIXOYHG-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.58
Rot. Bonds6

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

2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349272) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349272
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1
InChIInChI=1S/C16H13FN4O2S/c1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h2-4,6-10H,5H2,1H3
InChIKeyVJXJKLIYIXOYHG-UHFFFAOYSA-N
XLogP3.58
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Related Compounds

US8598345, Table 1-30/2-4
CID 51038395
4-[(5-fluoro-3-pyridinyl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 137638827
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 137643022
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 137653256
N-(4-methylthiazol-2-yl)-4-(pyridin-3-yloxy)picolinamide
CID 50990952
US8598345, Table 1-60/2-14
CID 88064501
US8598345, Table 1-56
CID 51038608
US8598345, Table 1-29
CID 88064111
US8598345, Table 1-32
CID 88064114
US8598345, Table 1-31
CID 88064131
US8598345, Table 1-66
CID 88064157
US8598345, Table 1-13
CID 88064351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349272) is 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.
What is the InChIKey of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is VJXJKLIYIXOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h2-4,6-10H,5H2,1H3.
What are the key properties of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 344.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).