1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol

C24H21F6N3O2S — CID 167058193

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2nc(CN3CCC4(CC3)Cc3ccncc3O4)cs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H21F6N3O2S/c25-23(26,27)22(34,24(28,29)30)17-3-1-15(2-4-17)20-32-18(14-36-20)13-33-9-6-21(7-10-33)11-16-5-8-31-12-19(16)35-21/h1-5,8,12,14,34H,6-7,9-11,13H2
InChIKeyQEKSEOKLEWOGDL-UHFFFAOYSA-N
MW529.51 g/mol
LogP5.49
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol (PubChem CID 167058193) has the molecular formula C24H21F6N3O2S and a molecular weight of 529.51 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol
PubChem CID167058193
Molecular FormulaC24H21F6N3O2S
Molecular Weight529.51 g/mol
Exact Mass529.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2nc(CN3CCC4(CC3)Cc3ccncc3O4)cs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H21F6N3O2S/c25-23(26,27)22(34,24(28,29)30)17-3-1-15(2-4-17)20-32-18(14-36-20)13-33-9-6-21(7-10-33)11-16-5-8-31-12-19(16)35-21/h1-5,8,12,14,34H,6-7,9-11,13H2
InChIKeyQEKSEOKLEWOGDL-UHFFFAOYSA-N
XLogP5.49
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol (CID 167058193) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol is OC(c1ccc(-c2nc(CN3CCC4(CC3)Cc3ccncc3O4)cs2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol?
The InChIKey is QEKSEOKLEWOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N3O2S/c25-23(26,27)22(34,24(28,29)30)17-3-1-15(2-4-17)20-32-18(14-36-20)13-33-9-6-21(7-10-33)11-16-5-8-31-12-19(16)35-21/h1-5,8,12,14,34H,6-7,9-11,13H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol has a molecular weight of 529.51 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-ylmethyl)-1,3-thiazol-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 167058193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).