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

C16H17FN2O3S — CID 157173254

IUPAC2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
SMILESCc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)c(F)s2)n1
InChIInChI=1S/C16H17FN2O3S/c1-9-5-12(22-11-3-4-21-8-11)6-13(18-9)14(20)7-15-19-10(2)16(17)23-15/h5-6,11H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyHAPNXWUXFHXHOA-LLVKDONJSA-N
MW336.39 g/mol
LogP2.89
Rot. Bonds5

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

2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone (PubChem CID 157173254) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
PubChem CID157173254
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
SMILESCc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)c(F)s2)n1
InChIInChI=1S/C16H17FN2O3S/c1-9-5-12(22-11-3-4-21-8-11)6-13(18-9)14(20)7-15-19-10(2)16(17)23-15/h5-6,11H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyHAPNXWUXFHXHOA-LLVKDONJSA-N
XLogP2.89
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone?
The IUPAC name of 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone (CID 157173254) is 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone?
The canonical SMILES for 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone is Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)c(F)s2)n1.
What is the InChIKey of 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone?
The InChIKey is HAPNXWUXFHXHOA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-9-5-12(22-11-3-4-21-8-11)6-13(18-9)14(20)7-15-19-10(2)16(17)23-15/h5-6,11H,3-4,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone?
2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone is sourced from PubChem (CID 157173254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).