2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C23H18F8N2O3S — CID 59103210

IUPAC2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CC3)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H18F8N2O3S/c24-20(25)36-16-6-3-13(9-17(16)35-14-4-5-14)15(8-12-2-1-7-32-10-12)18-11-33-19(37-18)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2
InChIKeyFYOFUHITWFTSDG-UHFFFAOYSA-N
MW554.46 g/mol
LogP6.37
Rot. Bonds9

About 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 59103210) has the molecular formula C23H18F8N2O3S and a molecular weight of 554.46 g/mol. Its IUPAC name is 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID59103210
Molecular FormulaC23H18F8N2O3S
Molecular Weight554.46 g/mol
Exact Mass554.09
IUPAC Name2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CC3)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C23H18F8N2O3S/c24-20(25)36-16-6-3-13(9-17(16)35-14-4-5-14)15(8-12-2-1-7-32-10-12)18-11-33-19(37-18)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2
InChIKeyFYOFUHITWFTSDG-UHFFFAOYSA-N
XLogP6.37
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.46
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10298260
2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10281403
lithium (2S,3S,4S,5R,6S)-6-[[5-[(2S)-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
CID 167528679
(E)-[(2Z,4E)-7-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-7-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]hepta-2,4-dienylidene]-hydroxyazanium
CID 142085880
2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10184058
2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
CID 11123600
1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]-1-phenylethanol
CID 10208858
[(3S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[[5-[(2S)-2-[3-cyclopropyloxy-4-[difluoro(hydroxy)methyl]phenyl]-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxy]oxan-2-yl]methyl acetate
CID 169015067
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
1-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-1,3-thiazol-2-yl]cyclobutan-1-ol
CID 10140865
(3S,5R,6S)-5-amino-6-[[5-[(2S)-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethyl]-2-pyridinyl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 169015114
tert-butyl (2S,3S,4S,5R,6S)-6-[[5-[(2S)-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethyl]-2-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate
CID 167528663

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 59103210) is 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CC3)c2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FYOFUHITWFTSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F8N2O3S/c24-20(25)36-16-6-3-13(9-17(16)35-14-4-5-14)15(8-12-2-1-7-32-10-12)18-11-33-19(37-18)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2.
What are the key properties of 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 554.46 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 59103210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).