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

C18H21FN2O3S — CID 157267954

IUPAC2-[4-(1-fluoroethyl)-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(C(C)F)cs2)n1
InChIInChI=1S/C18H21FN2O3S/c1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19/h4,6,9,11-12,14H,5,7-8H2,1-3H3/t11-,12?,14-/m1/s1
InChIKeyWDMBAWXKXASJKB-YXHCSQSYSA-N
MW364.44 g/mol
LogP3.86
Rot. Bonds6

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

2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone (PubChem CID 157267954) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
PubChem CID157267954
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[4-(1-fluoroethyl)-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(C(C)F)cs2)n1
InChIInChI=1S/C18H21FN2O3S/c1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19/h4,6,9,11-12,14H,5,7-8H2,1-3H3/t11-,12?,14-/m1/s1
InChIKeyWDMBAWXKXASJKB-YXHCSQSYSA-N
XLogP3.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)-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-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone (CID 157267954) is 2-[4-(1-fluoroethyl)-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-(1-fluoroethyl)-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-(1-fluoroethyl)-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(C(C)F)cs2)n1.
What is the InChIKey of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
The InChIKey is WDMBAWXKXASJKB-YXHCSQSYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-10-4-13(24-14-5-11(2)23-8-14)6-15(20-10)17(22)7-18-21-16(9-25-18)12(3)19/h4,6,9,11-12,14H,5,7-8H2,1-3H3/t11-,12?,14-/m1/s1.
What are the key properties of 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone?
2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone has a molecular weight of 364.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone is sourced from PubChem (CID 157267954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).