1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

C20H19F2NO2S2 — CID 78815982

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1csc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C20H19F2NO2S2/c1-13-11-26-20(23-13)27-12-18(24)10-25-19(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-9,11,18-19,24H,10,12H2,1H3
InChIKeyFFDBOQAOCDKWEH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.99
Rot. Bonds8

About 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 78815982) has the molecular formula C20H19F2NO2S2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID78815982
Molecular FormulaC20H19F2NO2S2
Molecular Weight407.51 g/mol
Exact Mass407.08
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1csc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C20H19F2NO2S2/c1-13-11-26-20(23-13)27-12-18(24)10-25-19(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-9,11,18-19,24H,10,12H2,1H3
InChIKeyFFDBOQAOCDKWEH-UHFFFAOYSA-N
XLogP4.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 106992395
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550
1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 62266989
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
(2R)-1-[bis(4-fluorophenyl)methoxy]-3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 26194673
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
(2S)-1-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-one
CID 51682202
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
1-[bis(4-fluorophenyl)methoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 4876054

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (CID 78815982) is 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is Cc1csc(SCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)n1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is FFDBOQAOCDKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2S2/c1-13-11-26-20(23-13)27-12-18(24)10-25-19(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-9,11,18-19,24H,10,12H2,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 407.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 78815982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).