1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol

C22H20F2N4OS2 — CID 90269245

IUPAC1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol
SMILESCC(O)C1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1c1nc2c(s1)CNCC2
InChIInChI=1S/C22H20F2N4OS2/c1-13(29)22(14-5-3-2-4-6-14)28(21-26-18-9-10-25-12-19(18)30-21)27-20(31-22)16-11-15(23)7-8-17(16)24/h2-8,11,13,25,29H,9-10,12H2,1H3
InChIKeyIIQYSZKGRZTDLM-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.22
Rot. Bonds4

About 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol

1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol (PubChem CID 90269245) has the molecular formula C22H20F2N4OS2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol
PubChem CID90269245
Molecular FormulaC22H20F2N4OS2
Molecular Weight458.56 g/mol
Exact Mass458.10
IUPAC Name1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol
SMILESCC(O)C1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1c1nc2c(s1)CNCC2
InChIInChI=1S/C22H20F2N4OS2/c1-13(29)22(14-5-3-2-4-6-14)28(21-26-18-9-10-25-12-19(18)30-21)27-20(31-22)16-11-15(23)7-8-17(16)24/h2-8,11,13,25,29H,9-10,12H2,1H3
InChIKeyIIQYSZKGRZTDLM-UHFFFAOYSA-N
XLogP4.22
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol with MolForge

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Related Compounds

2-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol
CID 59463930
tert-butyl 2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68503233
2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethanol
CID 68502385
(2S)-1-[2-(2-aminoethyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-methoxypropan-1-one;hydrochloride
CID 68548022
5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-(3-pyrrolidin-1-ylpropyl)-1,3,4-thiadiazole
CID 68504134
1-[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-2-hydroxypropan-1-one
CID 76751949
3-[5-(2,5-difluorophenyl)-2-phenyl-3-pyrimidin-2-yl-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 68504837
3-[5-(2,5-difluorophenyl)-3-hydroxy-2-phenyl-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 69142980
tert-butyl 2-[1-[2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-1-oxopropan-2-yl]oxyacetate
CID 69492915
2-amino-N-[1-[3-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]propylamino]-1-oxopropan-2-yl]propanamide
CID 68507267
5-(2,5-difluorophenyl)-N-hydroxy-2-(3-hydroxypropyl)-2-phenyl-N-propan-2-yl-1,3,4-thiadiazole-3-carboxamide
CID 87391683
N'-[2-[5-(2,5-difluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenyl-1,3,4-thiadiazol-2-yl]ethyl-methylamino]ethanimidamide
CID 68503309

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol (CID 90269245) is 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol is CC(O)C1(c2ccccc2)SC(c2cc(F)ccc2F)=NN1c1nc2c(s1)CNCC2.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol?
The InChIKey is IIQYSZKGRZTDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4OS2/c1-13(29)22(14-5-3-2-4-6-14)28(21-26-18-9-10-25-12-19(18)30-21)27-20(31-22)16-11-15(23)7-8-17(16)24/h2-8,11,13,25,29H,9-10,12H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol?
1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol has a molecular weight of 458.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-2-phenyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethanol is sourced from PubChem (CID 90269245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).