5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole

C9H14N2S — CID 137470822

IUPAC5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(C2CC2)ns1
InChIInChI=1S/C9H14N2S/c1-9(2,3)8-10-7(11-12-8)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyZKBZSWDTWZIXRT-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.71
Rot. Bonds1

About 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole

5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 137470822) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID137470822
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1nc(C2CC2)ns1
InChIInChI=1S/C9H14N2S/c1-9(2,3)8-10-7(11-12-8)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyZKBZSWDTWZIXRT-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.71
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-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole (CID 137470822) is 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole is CC(C)(C)c1nc(C2CC2)ns1.
What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is ZKBZSWDTWZIXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2,3)8-10-7(11-12-8)6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole?
5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 182.29 g/mol, XLogP of 2.71, 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-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 137470822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).