2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole

C9H10N2OS — CID 53017471

IUPAC2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C9H10N2OS/c1-6(2)8-10-11-9(12-8)7-4-3-5-13-7/h3-6H,1-2H3
InChIKeyJDACTFXHPCZRLE-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.92
Rot. Bonds2

About 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole

2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 53017471) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID53017471
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cccs2)o1
InChIInChI=1S/C9H10N2OS/c1-6(2)8-10-11-9(12-8)7-4-3-5-13-7/h3-6H,1-2H3
InChIKeyJDACTFXHPCZRLE-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole (CID 53017471) is 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is JDACTFXHPCZRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6(2)8-10-11-9(12-8)7-4-3-5-13-7/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole?
2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 194.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 53017471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).