2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole

C11H8N2OS — CID 158204466

IUPAC2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3s2)o1
InChIInChI=1S/C11H8N2OS/c1-7-12-13-11(14-7)10-6-8-4-2-3-5-9(8)15-10/h2-6H,1H3
InChIKeyGBIDDXKRZATUCR-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.26
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole

2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 158204466) has the molecular formula C11H8N2OS and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID158204466
Molecular FormulaC11H8N2OS
Molecular Weight216.26 g/mol
Exact Mass216.04
IUPAC Name2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cc3ccccc3s2)o1
InChIInChI=1S/C11H8N2OS/c1-7-12-13-11(14-7)10-6-8-4-2-3-5-9(8)15-10/h2-6H,1H3
InChIKeyGBIDDXKRZATUCR-UHFFFAOYSA-N
XLogP3.26
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61406569
5-(1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 61406424
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
5-(1-benzothiophen-2-yl)-N-(oxolan-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 167904184
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzothiophen-3-ol
CID 136547874
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole
CID 1485308

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole (CID 158204466) is 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cc3ccccc3s2)o1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is GBIDDXKRZATUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-7-12-13-11(14-7)10-6-8-4-2-3-5-9(8)15-10/h2-6H,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 216.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 158204466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).