2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole

C7H8N2S — CID 118516521

IUPAC2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc2sc(C)nn2c1
InChIInChI=1S/C7H8N2S/c1-5-3-7-9(4-5)8-6(2)10-7/h3-4H,1-2H3
InChIKeyDAYMZQMQIOJJAQ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.01
Rot. Bonds

About 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole

2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole (PubChem CID 118516521) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole
PubChem CID118516521
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc2sc(C)nn2c1
InChIInChI=1S/C7H8N2S/c1-5-3-7-9(4-5)8-6(2)10-7/h3-4H,1-2H3
InChIKeyDAYMZQMQIOJJAQ-UHFFFAOYSA-N
XLogP2.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole (CID 118516521) is 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole is Cc1cc2sc(C)nn2c1.
What is the InChIKey of 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DAYMZQMQIOJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-3-7-9(4-5)8-6(2)10-7/h3-4H,1-2H3.
What are the key properties of 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole?
2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole has a molecular weight of 152.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrrolo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 118516521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).