3,5-di(propan-2-yl)-1,2,4-thiadiazole

C8H14N2S — CID 21054923

IUPAC3,5-di(propan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3
InChIKeyMILMNFCCXDFCRJ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.78
Rot. Bonds2

About 3,5-di(propan-2-yl)-1,2,4-thiadiazole

3,5-di(propan-2-yl)-1,2,4-thiadiazole (PubChem CID 21054923) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2,4-thiadiazole
PubChem CID21054923
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3,5-di(propan-2-yl)-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C(C)C)n1
InChIInChI=1S/C8H14N2S/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3
InChIKeyMILMNFCCXDFCRJ-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
Dimethyl-1,2,4-thiadiazole
CID 13028086
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-thiadiazole
CID 17832095
3-Tert-butyl-5-(chloromethyl)-1,2,4-thiadiazole
CID 57736306
2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-(Bromomethyl)-3-ethyl-1,2,4-thiadiazole
CID 165830947
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-Ethyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 68235669

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-thiadiazole (CID 21054923) is 3,5-di(propan-2-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-thiadiazole is CC(C)c1nsc(C(C)C)n1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
The InChIKey is MILMNFCCXDFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(2)7-9-8(6(3)4)11-10-7/h5-6H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2,4-thiadiazole?
3,5-di(propan-2-yl)-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 21054923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).