2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

C5H5N3S2 — CID 58285705

IUPAC2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCSc1nn2ccnc2s1
InChIInChI=1S/C5H5N3S2/c1-9-5-7-8-3-2-6-4(8)10-5/h2-3H,1H3
InChIKeyPZZJPGFYQFZEJC-UHFFFAOYSA-N
MW171.25 g/mol
LogP1.51
Rot. Bonds1

About 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole

2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 58285705) has the molecular formula C5H5N3S2 and a molecular weight of 171.25 g/mol. Its IUPAC name is 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID58285705
Molecular FormulaC5H5N3S2
Molecular Weight171.25 g/mol
Exact Mass170.99
IUPAC Name2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCSc1nn2ccnc2s1
InChIInChI=1S/C5H5N3S2/c1-9-5-7-8-3-2-6-4(8)10-5/h2-3H,1H3
InChIKeyPZZJPGFYQFZEJC-UHFFFAOYSA-N
XLogP1.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole (CID 58285705) is 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is CSc1nn2ccnc2s1.
What is the InChIKey of 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PZZJPGFYQFZEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S2/c1-9-5-7-8-3-2-6-4(8)10-5/h2-3H,1H3.
What are the key properties of 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole?
2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 171.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 58285705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).