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

C7H12N2OS — CID 139570285

IUPAC3-tert-butyl-5-methoxy-1,2,4-thiadiazole
SMILESCOc1nc(C(C)(C)C)ns1
InChIInChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)11-9-5/h1-4H3
InChIKeyGUVXRPTYTQFGND-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.84
Rot. Bonds1

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

3-tert-butyl-5-methoxy-1,2,4-thiadiazole (PubChem CID 139570285) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-methoxy-1,2,4-thiadiazole
PubChem CID139570285
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-tert-butyl-5-methoxy-1,2,4-thiadiazole
SMILESCOc1nc(C(C)(C)C)ns1
InChIInChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)11-9-5/h1-4H3
InChIKeyGUVXRPTYTQFGND-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

5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
3-Tert-butyl-1,2,4-thiadiazol-5-amine
CID 21688990
3-Propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946124
3-Tert-butyl-5-fluoro-1,2,4-thiadiazole
CID 146378287
3-Tert-butyl-5-chloro-1,2,4-thiadiazole
CID 13193083
5-Methoxy-3-methyl-1,2,4-thiadiazole
CID 21349938
5-Ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 58970602
5-Bromo-3-tert-butyl-1,2,4-thiadiazole
CID 65274016
5-Methoxy-3-propyl-1,2,4-thiadiazole
CID 89142868
3-(tert-Butyl)-5-iodo-1,2,4-thiadiazole
CID 114619534
5-Ethyl-3-methoxy-1,2,4-thiadiazole
CID 118152555
3-Methoxy-5-propan-2-yl-1,2,4-thiadiazole
CID 134442994

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxy-1,2,4-thiadiazole?
The IUPAC name of 3-tert-butyl-5-methoxy-1,2,4-thiadiazole (CID 139570285) is 3-tert-butyl-5-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 3-tert-butyl-5-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 3-tert-butyl-5-methoxy-1,2,4-thiadiazole is COc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-5-methoxy-1,2,4-thiadiazole?
The InChIKey is GUVXRPTYTQFGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-7(2,3)5-8-6(10-4)11-9-5/h1-4H3.
What are the key properties of 3-tert-butyl-5-methoxy-1,2,4-thiadiazole?
3-tert-butyl-5-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 3-tert-butyl-5-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 139570285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).