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

C7H12N2OS — CID 146378220

IUPAC5-tert-butyl-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(C(C)(C)C)n1
InChIInChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)9-11-5/h1-4H3
InChIKeyCJAAYEVWTPCOGT-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.84
Rot. Bonds1

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

5-tert-butyl-3-methoxy-1,2,4-thiadiazole (PubChem CID 146378220) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-methoxy-1,2,4-thiadiazole
PubChem CID146378220
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name5-tert-butyl-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(C(C)(C)C)n1
InChIInChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)9-11-5/h1-4H3
InChIKeyCJAAYEVWTPCOGT-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
5-Propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946119
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
5-Tert-butyl-1,2,4-thiadiazol-3-amine
CID 12246468
3-Methoxy-5-methyl-1,2,4-thiadiazole
CID 58328470
3-Tert-butyl-5-methyl-1,2,4-thiadiazole
CID 59125550
5-Tert-butyl-3-methyl-1,2,4-thiadiazole
CID 59463937
3-Tert-butyl-5-ethyl-1,2,4-thiadiazole
CID 68318110
3-Bromo-5-tert-butyl-1,2,4-thiadiazole
CID 84686367
5-Tert-butyl-3-ethyl-1,2,4-thiadiazole
CID 89014665
3-But-2-ynoxy-5-ethyl-1,2,4-thiadiazole
CID 90741617
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-methoxy-1,2,4-thiadiazole (CID 146378220) is 5-tert-butyl-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-methoxy-1,2,4-thiadiazole is COc1nsc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-methoxy-1,2,4-thiadiazole?
The InChIKey is CJAAYEVWTPCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)9-11-5/h1-4H3.
What are the key properties of 5-tert-butyl-3-methoxy-1,2,4-thiadiazole?
5-tert-butyl-3-methoxy-1,2,4-thiadiazole has a molecular weight of 172.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 146378220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).