3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C7H10N4S2 — CID 611746

IUPAC3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCSc1nnc2sc(C(C)C)nn12
InChIInChI=1S/C7H10N4S2/c1-4(2)5-10-11-6(12-3)8-9-7(11)13-5/h4H,1-3H3
InChIKeyOZSSNYPEFSUUJD-UHFFFAOYSA-N
MW214.32 g/mol
LogP2.03
Rot. Bonds2

About 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 611746) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID611746
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCSc1nnc2sc(C(C)C)nn12
InChIInChI=1S/C7H10N4S2/c1-4(2)5-10-11-6(12-3)8-9-7(11)13-5/h4H,1-3H3
InChIKeyOZSSNYPEFSUUJD-UHFFFAOYSA-N
XLogP2.03
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
CID 82484120
3-(4-methoxyphenyl)-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11841812
4-[(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]aniline
CID 96669147
5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
CID 139228493
1-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine
CID 114354571
2-methyl-1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114352031
1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356334
cyclopropyl-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 114354745
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 130168016
6-(1-chloroethyl)-3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356000
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
6-[1-(azetidin-3-yl)ethyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352121

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 611746) is 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CSc1nnc2sc(C(C)C)nn12.
What is the InChIKey of 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is OZSSNYPEFSUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-4(2)5-10-11-6(12-3)8-9-7(11)13-5/h4H,1-3H3.
What are the key properties of 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 214.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 611746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).