2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole

C15H23N3OS — CID 121311862

IUPAC2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1csc(-c2nnc(CC(C)(C)C)o2)n1
InChIInChI=1S/C15H23N3OS/c1-14(2,3)7-10-9-20-13(16-10)12-18-17-11(19-12)8-15(4,5)6/h9H,7-8H2,1-6H3
InChIKeyDJYSRSIWCRHAGW-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.37
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole

2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole (PubChem CID 121311862) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole
PubChem CID121311862
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)Cc1csc(-c2nnc(CC(C)(C)C)o2)n1
InChIInChI=1S/C15H23N3OS/c1-14(2,3)7-10-9-20-13(16-10)12-18-17-11(19-12)8-15(4,5)6/h9H,7-8H2,1-6H3
InChIKeyDJYSRSIWCRHAGW-UHFFFAOYSA-N
XLogP4.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole (CID 121311862) is 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole is CC(C)(C)Cc1csc(-c2nnc(CC(C)(C)C)o2)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is DJYSRSIWCRHAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-14(2,3)7-10-9-20-13(16-10)12-18-17-11(19-12)8-15(4,5)6/h9H,7-8H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole?
2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 293.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-[4-(2,2-dimethylpropyl)-1,3-thiazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 121311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).