5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole

C8H7N5OS2 — CID 139228493

IUPAC5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
SMILESCSc1nnc2sc(-c3cc(C)on3)nn12
InChIInChI=1S/C8H7N5OS2/c1-4-3-5(12-14-4)6-11-13-7(15-2)9-10-8(13)16-6/h3H,1-2H3
InChIKeyBGVWRWMWFCNPOA-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.87
Rot. Bonds2

About 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole

5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole (PubChem CID 139228493) has the molecular formula C8H7N5OS2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
PubChem CID139228493
Molecular FormulaC8H7N5OS2
Molecular Weight253.31 g/mol
Exact Mass253.01
IUPAC Name5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole
SMILESCSc1nnc2sc(-c3cc(C)on3)nn12
InChIInChI=1S/C8H7N5OS2/c1-4-3-5(12-14-4)6-11-13-7(15-2)9-10-8(13)16-6/h3H,1-2H3
InChIKeyBGVWRWMWFCNPOA-UHFFFAOYSA-N
XLogP1.87
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-3-[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1,2-oxazole
CID 71702368
3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006574
3-[3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-methyl-1,2-oxazole
CID 42536282
3-methylsulfanyl-6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 611746
3-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-(4-methoxyphenyl)-1,2-oxazole
CID 42535940
3-[6-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
CID 4892888
5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole
CID 4894788
2-[[4-amino-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 66157363
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265
3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-phenyl-1,2-oxazole
CID 42581500
2-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]acetamide
CID 141277958
3-[6-[2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
CID 4972582

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole (CID 139228493) is 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole is CSc1nnc2sc(-c3cc(C)on3)nn12.
What is the InChIKey of 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole?
The InChIKey is BGVWRWMWFCNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5OS2/c1-4-3-5(12-14-4)6-11-13-7(15-2)9-10-8(13)16-6/h3H,1-2H3.
What are the key properties of 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole?
5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole has a molecular weight of 253.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,2-oxazole is sourced from PubChem (CID 139228493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).