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

C16H15F3N2O3S — CID 147259889

IUPAC1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESCc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C16H15F3N2O3S/c1-9-4-11(24-10-2-3-23-7-10)5-12(20-9)13(22)6-15-21-14(8-25-15)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeyCOIYNZLZRCHSRY-SNVBAGLBSA-N
MW372.37 g/mol
LogP3.46
Rot. Bonds5

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

1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 147259889) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID147259889
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
SMILESCc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C16H15F3N2O3S/c1-9-4-11(24-10-2-3-23-7-10)5-12(20-9)13(22)6-15-21-14(8-25-15)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1
InChIKeyCOIYNZLZRCHSRY-SNVBAGLBSA-N
XLogP3.46
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone (CID 147259889) is 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is Cc1cc(O[C@@H]2CCOC2)cc(C(=O)Cc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is COIYNZLZRCHSRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-9-4-11(24-10-2-3-23-7-10)5-12(20-9)13(22)6-15-21-14(8-25-15)16(17,18)19/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1.
What are the key properties of 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone?
1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 372.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 147259889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).