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

C24H20F8N2O3S — CID 10281403

IUPAC2-[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
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H20F8N2O3S/c25-21(26)37-17-5-4-14(11-18(17)36-15-2-1-3-15)16(10-13-6-8-33-9-7-13)19-12-34-20(38-19)22(35,23(27,28)29)24(30,31)32/h4-9,11-12,15-16,21,35H,1-3,10H2
InChIKeyBWAOHDPDOBSJIZ-UHFFFAOYSA-N
MW568.49 g/mol
LogP6.76
Rot. Bonds9

About 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

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 (PubChem CID 10281403) has the molecular formula C24H20F8N2O3S and a molecular weight of 568.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID10281403
Molecular FormulaC24H20F8N2O3S
Molecular Weight568.49 g/mol
Exact Mass568.11
IUPAC Name2-[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
SMILESOC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H20F8N2O3S/c25-21(26)37-17-5-4-14(11-18(17)36-15-2-1-3-15)16(10-13-6-8-33-9-7-13)19-12-34-20(38-19)22(35,23(27,28)29)24(30,31)32/h4-9,11-12,15-16,21,35H,1-3,10H2
InChIKeyBWAOHDPDOBSJIZ-UHFFFAOYSA-N
XLogP6.76
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.49
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC(c1ncc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC3CCC3)c2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is BWAOHDPDOBSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F8N2O3S/c25-21(26)37-17-5-4-14(11-18(17)36-15-2-1-3-15)16(10-13-6-8-33-9-7-13)19-12-34-20(38-19)22(35,23(27,28)29)24(30,31)32/h4-9,11-12,15-16,21,35H,1-3,10H2.
What are the key properties of 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?
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 has a molecular weight of 568.49 g/mol, XLogP of 6.76, 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-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10281403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).