2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole

C20H20N4OS2 — CID 40583723

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cn2c1
InChIInChI=1S/C20H20N4OS2/c1-12-3-5-16-14(7-12)8-17(27-16)19-22-23-20(25-19)26-11-15-10-24-9-13(2)4-6-18(24)21-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3/t12-/m1/s1
InChIKeyJCMIETIRFINLFK-GFCCVEGCSA-N
MW396.54 g/mol
LogP5.17
Rot. Bonds4

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 40583723) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole
PubChem CID40583723
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cn2c1
InChIInChI=1S/C20H20N4OS2/c1-12-3-5-16-14(7-12)8-17(27-16)19-22-23-20(25-19)26-11-15-10-24-9-13(2)4-6-18(24)21-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3/t12-/m1/s1
InChIKeyJCMIETIRFINLFK-GFCCVEGCSA-N
XLogP5.17
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(3-methylphenyl)-5-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 41113726
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole
CID 41258808
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole
CID 8568869
N-(methylcarbamoyl)-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 40671243
ethyl N-[2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]carbamate
CID 42902733
N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11924768
2-[2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide
CID 40953506
(2R)-4-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 41242812
2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 7421408
N-(2-cyanoethyl)-N-methyl-2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 40671194
(2S)-2-[[5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40795241
(2R)-2-[[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40795242

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole (CID 40583723) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole is Cc1ccc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)cn2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is JCMIETIRFINLFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-12-3-5-16-14(7-12)8-17(27-16)19-22-23-20(25-19)26-11-15-10-24-9-13(2)4-6-18(24)21-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 396.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 40583723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).