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

C6H10N2S — CID 23166716

IUPAC3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1ncsn1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-7-4-9-8-5/h4H,1-3H3
InChIKeyRLQFIHBRKUMPIN-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.84
Rot. Bonds

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

3-tert-butyl-1,2,4-thiadiazole (PubChem CID 23166716) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-tert-butyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-1,2,4-thiadiazole
PubChem CID23166716
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-tert-butyl-1,2,4-thiadiazole
SMILESCC(C)(C)c1ncsn1
InChIInChI=1S/C6H10N2S/c1-6(2,3)5-7-4-9-8-5/h4H,1-3H3
InChIKeyRLQFIHBRKUMPIN-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-[1,2,4]thiadiazole
CID 12260128
3-Ethyl-1,2,4-thiadiazole
CID 17845865
3-Propyl-1,2,4-thiadiazole
CID 17845902
3-Cyclopropyl-1,2,4-thiadiazole
CID 17845908
3-Propan-2-yl-1,2,4-thiadiazole
CID 17845921
5-Propan-2-yl-1,2,4-thiadiazole
CID 20613646
3,4-Dimethyl-1,2,4-thiadiazol-4-ium
CID 20688129
5-Tert-butyl-1,2,4-thiadiazole
CID 23383498
3-Pentyl-1,2,4-thiadiazole
CID 54233965
3-Butyl-1,2,4-thiadiazole
CID 54453274
3-Pentan-3-yl-1,2,4-thiadiazole
CID 57084859
3-(2-Methylpropyl)-1,2,4-thiadiazole
CID 57116792

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-1,2,4-thiadiazole (CID 23166716) is 3-tert-butyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-1,2,4-thiadiazole is CC(C)(C)c1ncsn1.
What is the InChIKey of 3-tert-butyl-1,2,4-thiadiazole?
The InChIKey is RLQFIHBRKUMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-6(2,3)5-7-4-9-8-5/h4H,1-3H3.
What are the key properties of 3-tert-butyl-1,2,4-thiadiazole?
3-tert-butyl-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,4-thiadiazole is sourced from PubChem (CID 23166716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).