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

C24H26F2N2O3S — CID 10298260

IUPAC2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1
InChIInChI=1S/C24H26F2N2O3S/c1-24(2,29)22-28-14-21(32-22)18(11-15-5-4-10-27-13-15)16-8-9-19(31-23(25)26)20(12-16)30-17-6-3-7-17/h4-5,8-10,12-14,17-18,23,29H,3,6-7,11H2,1-2H3
InChIKeyLJAUGJDNFZDMCL-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.67
Rot. Bonds9

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

2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 10298260) has the molecular formula C24H26F2N2O3S and a molecular weight of 460.55 g/mol. Its IUPAC name is 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID10298260
Molecular FormulaC24H26F2N2O3S
Molecular Weight460.55 g/mol
Exact Mass460.16
IUPAC Name2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1
InChIInChI=1S/C24H26F2N2O3S/c1-24(2,29)22-28-14-21(32-22)18(11-15-5-4-10-27-13-15)16-8-9-19(31-23(25)26)20(12-16)30-17-6-3-7-17/h4-5,8-10,12-14,17-18,23,29H,3,6-7,11H2,1-2H3
InChIKeyLJAUGJDNFZDMCL-UHFFFAOYSA-N
XLogP5.67
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[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
[(1Z,3Z)-3-[2-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]ethyl]penta-1,3-dienyl]-hydroxyazanium
CID 142085889
2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
CID 11123600
(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
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
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol (CID 10298260) is 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol is CC(C)(O)c1ncc(C(Cc2cccnc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1.
What is the InChIKey of 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is LJAUGJDNFZDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3S/c1-24(2,29)22-28-14-21(32-22)18(11-15-5-4-10-27-13-15)16-8-9-19(31-23(25)26)20(12-16)30-17-6-3-7-17/h4-5,8-10,12-14,17-18,23,29H,3,6-7,11H2,1-2H3.
What are the key properties of 2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol?
2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 460.55 g/mol, XLogP of 5.67, 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-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 10298260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).