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

C19H17FN4OS2 — CID 35170206

IUPAC5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1
InChIInChI=1S/C19H17FN4OS2/c1-3-4-15-23-17(25-24-15)11(2)27-19-16-14(9-26-18(16)21-10-22-19)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyPREFJDCOQDYXQB-LLVKDONJSA-N
MW400.50 g/mol
LogP5.69
Rot. Bonds6

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

5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 35170206) has the molecular formula C19H17FN4OS2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID35170206
Molecular FormulaC19H17FN4OS2
Molecular Weight400.50 g/mol
Exact Mass400.08
IUPAC Name5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1
InChIInChI=1S/C19H17FN4OS2/c1-3-4-15-23-17(25-24-15)11(2)27-19-16-14(9-26-18(16)21-10-22-19)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyPREFJDCOQDYXQB-LLVKDONJSA-N
XLogP5.69
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 42948014
(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 51533837
5-[1-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
CID 55578079
3-tert-butyl-5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531116
N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
CID 46623153
6-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 39967246
ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 44636139
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1139710
5-(4-fluorophenyl)-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42890314
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole (CID 35170206) is 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1.
What is the InChIKey of 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is PREFJDCOQDYXQB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN4OS2/c1-3-4-15-23-17(25-24-15)11(2)27-19-16-14(9-26-18(16)21-10-22-19)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 400.50 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 35170206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).