2,5-ditert-butyl-1,3,4-thiadiazole

C10H18N2S — CID 13448364

IUPAC2,5-ditert-butyl-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h1-6H3
InChIKeyHGCNMRNCDUIGDO-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.13
Rot. Bonds

About 2,5-ditert-butyl-1,3,4-thiadiazole

2,5-ditert-butyl-1,3,4-thiadiazole (PubChem CID 13448364) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3,4-thiadiazole
PubChem CID13448364
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2,5-ditert-butyl-1,3,4-thiadiazole
SMILESCC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h1-6H3
InChIKeyHGCNMRNCDUIGDO-UHFFFAOYSA-N
XLogP3.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3,4-thiadiazole?
The IUPAC name of 2,5-ditert-butyl-1,3,4-thiadiazole (CID 13448364) is 2,5-ditert-butyl-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-ditert-butyl-1,3,4-thiadiazole?
The canonical SMILES for 2,5-ditert-butyl-1,3,4-thiadiazole is CC(C)(C)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 2,5-ditert-butyl-1,3,4-thiadiazole?
The InChIKey is HGCNMRNCDUIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9(2,3)7-11-12-8(13-7)10(4,5)6/h1-6H3.
What are the key properties of 2,5-ditert-butyl-1,3,4-thiadiazole?
2,5-ditert-butyl-1,3,4-thiadiazole has a molecular weight of 198.33 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3,4-thiadiazole is sourced from PubChem (CID 13448364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).