5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C23H25N7O4S2 — CID 150665457

IUPAC5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(S(C)(=O)=O)ccc1-c1cn2nc(O[C@@H](C)C3=CCN(c4nc(C(C)C)no4)C=C3)sc2n1
InChIInChI=1S/C23H25N7O4S2/c1-13(2)20-26-21(34-28-20)29-10-8-16(9-11-29)15(4)33-23-27-30-12-18(25-22(30)35-23)17-6-7-19(24-14(17)3)36(5,31)32/h6-10,12-13,15H,11H2,1-5H3/t15-/m0/s1
InChIKeyJETVURVQSIYUEX-HNNXBMFYSA-N
MW527.63 g/mol
LogP3.80
Rot. Bonds7

About 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 150665457) has the molecular formula C23H25N7O4S2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID150665457
Molecular FormulaC23H25N7O4S2
Molecular Weight527.63 g/mol
Exact Mass527.14
IUPAC Name5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(S(C)(=O)=O)ccc1-c1cn2nc(O[C@@H](C)C3=CCN(c4nc(C(C)C)no4)C=C3)sc2n1
InChIInChI=1S/C23H25N7O4S2/c1-13(2)20-26-21(34-28-20)29-10-8-16(9-11-29)15(4)33-23-27-30-12-18(25-22(30)35-23)17-6-7-19(24-14(17)3)36(5,31)32/h6-10,12-13,15H,11H2,1-5H3/t15-/m0/s1
InChIKeyJETVURVQSIYUEX-HNNXBMFYSA-N
XLogP3.80
TPSA128.61 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 150665457) is 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc(S(C)(=O)=O)ccc1-c1cn2nc(O[C@@H](C)C3=CCN(c4nc(C(C)C)no4)C=C3)sc2n1.
What is the InChIKey of 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JETVURVQSIYUEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N7O4S2/c1-13(2)20-26-21(34-28-20)29-10-8-16(9-11-29)15(4)33-23-27-30-12-18(25-22(30)35-23)17-6-7-19(24-14(17)3)36(5,31)32/h6-10,12-13,15H,11H2,1-5H3/t15-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 527.63 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-[6-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]-2H-pyridin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 150665457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).