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

C7H12N2S — CID 59125550

IUPAC3-tert-butyl-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C(C)(C)C)ns1
InChIInChI=1S/C7H12N2S/c1-5-8-6(9-10-5)7(2,3)4/h1-4H3
InChIKeyWATPBTJDIYTMSQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.14
Rot. Bonds

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

3-tert-butyl-5-methyl-1,2,4-thiadiazole (PubChem CID 59125550) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1,2,4-thiadiazole
PubChem CID59125550
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name3-tert-butyl-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C(C)(C)C)ns1
InChIInChI=1S/C7H12N2S/c1-5-8-6(9-10-5)7(2,3)4/h1-4H3
InChIKeyWATPBTJDIYTMSQ-UHFFFAOYSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 52.14
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-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
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
5-(Chloromethyl)-3-ethyl-1,2,4-thiadiazole
CID 67258054
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
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
5-(Bromomethyl)-3-ethyl-1,2,4-thiadiazole
CID 165830947

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-methyl-1,2,4-thiadiazole (CID 59125550) is 3-tert-butyl-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-methyl-1,2,4-thiadiazole is Cc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-5-methyl-1,2,4-thiadiazole?
The InChIKey is WATPBTJDIYTMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-8-6(9-10-5)7(2,3)4/h1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-1,2,4-thiadiazole?
3-tert-butyl-5-methyl-1,2,4-thiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 59125550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).