5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole

C13H24N2S — CID 58810144

IUPAC5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(C(C)(C)C(C)(C)C)ns1
InChIInChI=1S/C13H24N2S/c1-11(2,3)10-14-9(15-16-10)13(7,8)12(4,5)6/h1-8H3
InChIKeyAWGSGBDFADQJDN-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.16
Rot. Bonds1

About 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole

5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole (PubChem CID 58810144) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole
PubChem CID58810144
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(C(C)(C)C(C)(C)C)ns1
InChIInChI=1S/C13H24N2S/c1-11(2,3)10-14-9(15-16-10)13(7,8)12(4,5)6/h1-8H3
InChIKeyAWGSGBDFADQJDN-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole (CID 58810144) is 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole is CC(C)(C)c1nc(C(C)(C)C(C)(C)C)ns1.
What is the InChIKey of 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole?
The InChIKey is AWGSGBDFADQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11(2,3)10-14-9(15-16-10)13(7,8)12(4,5)6/h1-8H3.
What are the key properties of 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole?
5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole has a molecular weight of 240.42 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 58810144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).