(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol

C20H14F2N2OS2 — CID 32518919

IUPAC(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
SMILESO[C@@H](CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2OS2/c21-14-5-1-12(2-6-14)16-9-26-19-18(16)20(24-11-23-19)27-10-17(25)13-3-7-15(22)8-4-13/h1-9,11,17,25H,10H2/t17-/m0/s1
InChIKeyYERUOPTWANWDMN-KRWDZBQOSA-N
MW400.48 g/mol
LogP5.46
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol

(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol (PubChem CID 32518919) has the molecular formula C20H14F2N2OS2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
PubChem CID32518919
Molecular FormulaC20H14F2N2OS2
Molecular Weight400.48 g/mol
Exact Mass400.05
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol
SMILESO[C@@H](CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2OS2/c21-14-5-1-12(2-6-14)16-9-26-19-18(16)20(24-11-23-19)27-10-17(25)13-3-7-15(22)8-4-13/h1-9,11,17,25H,10H2/t17-/m0/s1
InChIKeyYERUOPTWANWDMN-KRWDZBQOSA-N
XLogP5.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol with MolForge

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Related Compounds

4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
1-Phenyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol
CID 3894843
4-[(4-Fluorobenzyl)thio]-5-phenylthieno[2,3-d]pyrimidine
CID 1191721
[4-(4-Anilinothieno[2,3-d]pyrimidin-6-yl)phenyl]methanol
CID 127024859
[4-[4-(Benzylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027073
[3-fluoro-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 127027086
2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 4796330
5-Phenyl-4-(3-phenylmethoxypyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 89579832
2-Fluorobenzyl 5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl sulfide
CID 703907
4-Benzylsulfanyl-5-phenylthieno[2,3-d]pyrimidine
CID 1586772
1-{[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio}acetone
CID 733168
3-(5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-ylthio)propanoic acid
CID 51355410

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol (CID 32518919) is (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol is O[C@@H](CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol?
The InChIKey is YERUOPTWANWDMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H14F2N2OS2/c21-14-5-1-12(2-6-14)16-9-26-19-18(16)20(24-11-23-19)27-10-17(25)13-3-7-15(22)8-4-13/h1-9,11,17,25H,10H2/t17-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol?
(1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol has a molecular weight of 400.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 32518919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).