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

C19H18N4OS2 — CID 8954336

IUPAC2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H18N4OS2/c1-10-11(2)25-18-15(10)19(21-13(4)20-18)26-12(3)16-22-23-17(24-16)14-8-6-5-7-9-14/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyKVOQULWIJKJCNN-GFCCVEGCSA-N
MW382.51 g/mol
LogP5.52
Rot. Bonds4

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

2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole (PubChem CID 8954336) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
PubChem CID8954336
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H18N4OS2/c1-10-11(2)25-18-15(10)19(21-13(4)20-18)26-12(3)16-22-23-17(24-16)14-8-6-5-7-9-14/h5-9,12H,1-4H3/t12-/m1/s1
InChIKeyKVOQULWIJKJCNN-GFCCVEGCSA-N
XLogP5.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 33273449
5,6-dimethyl-2-[(1S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2462386
(2R)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 2470719
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 2563242
2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630290
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
(2R)-N-benzyl-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7362687
1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 42887380
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole (CID 8954336) is 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole is Cc1nc(S[C@H](C)c2nnc(-c3ccccc3)o2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole?
The InChIKey is KVOQULWIJKJCNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-10-11(2)25-18-15(10)19(21-13(4)20-18)26-12(3)16-22-23-17(24-16)14-8-6-5-7-9-14/h5-9,12H,1-4H3/t12-/m1/s1.
What are the key properties of 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole?
2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole has a molecular weight of 382.51 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8954336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).