3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole

C17H16N4OS3 — CID 33273449

IUPAC3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
SMILESCc1nc(S[C@@H](C)c2nc(-c3cccs3)no2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(19-11(4)18-16)25-10(3)15-20-14(21-22-15)12-6-5-7-23-12/h5-7,10H,1-4H3/t10-/m0/s1
InChIKeyVUJCCVQWLNEFMS-JTQLQIEISA-N
MW388.54 g/mol
LogP5.58
Rot. Bonds4

About 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole

3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole (PubChem CID 33273449) has the molecular formula C17H16N4OS3 and a molecular weight of 388.54 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
PubChem CID33273449
Molecular FormulaC17H16N4OS3
Molecular Weight388.54 g/mol
Exact Mass388.05
IUPAC Name3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
SMILESCc1nc(S[C@@H](C)c2nc(-c3cccs3)no2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(19-11(4)18-16)25-10(3)15-20-14(21-22-15)12-6-5-7-23-12/h5-7,10H,1-4H3/t10-/m0/s1
InChIKeyVUJCCVQWLNEFMS-JTQLQIEISA-N
XLogP5.58
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 8954336
5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
5-[(1S)-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33291063
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
N-(2-thiophen-2-ylethyl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42954108
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
(2R)-N-(3-cyanothiophen-2-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 8952256
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 134005593
6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 55640401
4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43022327
[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl] N,N-diethylcarbamodithioate
CID 52574666
(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 2470719

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole (CID 33273449) is 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole is Cc1nc(S[C@@H](C)c2nc(-c3cccs3)no2)c2c(C)c(C)sc2n1.
What is the InChIKey of 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
The InChIKey is VUJCCVQWLNEFMS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16N4OS3/c1-8-9(2)24-16-13(8)17(19-11(4)18-16)25-10(3)15-20-14(21-22-15)12-6-5-7-23-12/h5-7,10H,1-4H3/t10-/m0/s1.
What are the key properties of 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole?
3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole has a molecular weight of 388.54 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 33273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).