ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole

C9H12N2OS — CID 143800921

IUPACethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC.Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C7H6N2OS.C2H6/c1-5-8-9-7(10-5)6-3-2-4-11-6;1-2/h2-4H,1H3;1-2H3
InChIKeyWZDRBIUBGXESFJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP3.13
Rot. Bonds1

About ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole

ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 143800921) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID143800921
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC.Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C7H6N2OS.C2H6/c1-5-8-9-7(10-5)6-3-2-4-11-6;1-2/h2-4H,1H3;1-2H3
InChIKeyWZDRBIUBGXESFJ-UHFFFAOYSA-N
XLogP3.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19582981
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466
2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19554531
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 143800921) is ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole is CC.Cc1nnc(-c2cccs2)o1.
What is the InChIKey of ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is WZDRBIUBGXESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS.C2H6/c1-5-8-9-7(10-5)6-3-2-4-11-6;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole?
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 196.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 143800921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).