2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone

C17H19FN2O3S — CID 158048907

IUPAC2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(CF)cs2)n1
InChIInChI=1S/C17H19FN2O3S/c1-10-3-13(23-14-4-11(2)22-8-14)5-15(19-10)16(21)6-17-20-12(7-18)9-24-17/h3,5,9,11,14H,4,6-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyFJGAADCGGQOGHC-BXUZGUMPSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone

2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone (PubChem CID 158048907) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
PubChem CID158048907
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
SMILESCc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(CF)cs2)n1
InChIInChI=1S/C17H19FN2O3S/c1-10-3-13(23-14-4-11(2)22-8-14)5-15(19-10)16(21)6-17-20-12(7-18)9-24-17/h3,5,9,11,14H,4,6-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyFJGAADCGGQOGHC-BXUZGUMPSA-N
XLogP3.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone (CID 158048907) is 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone is Cc1cc(O[C@H]2CO[C@H](C)C2)cc(C(=O)Cc2nc(CF)cs2)n1.
What is the InChIKey of 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
The InChIKey is FJGAADCGGQOGHC-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-10-3-13(23-14-4-11(2)22-8-14)5-15(19-10)16(21)6-17-20-12(7-18)9-24-17/h3,5,9,11,14H,4,6-8H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone has a molecular weight of 350.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone is sourced from PubChem (CID 158048907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).