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

C5H4N2S — CID 59421469

IUPACpyrrolo[2,1-b][1,3,4]thiadiazole
SMILESc1cc2scnn2c1
InChIInChI=1S/C5H4N2S/c1-2-5-7(3-1)6-4-8-5/h1-4H
InChIKeyKSVJLHBCVAIUFE-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.40
Rot. Bonds

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

pyrrolo[2,1-b][1,3,4]thiadiazole (PubChem CID 59421469) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is pyrrolo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Namepyrrolo[2,1-b][1,3,4]thiadiazole
PubChem CID59421469
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Namepyrrolo[2,1-b][1,3,4]thiadiazole
SMILESc1cc2scnn2c1
InChIInChI=1S/C5H4N2S/c1-2-5-7(3-1)6-4-8-5/h1-4H
InChIKeyKSVJLHBCVAIUFE-UHFFFAOYSA-N
XLogP1.40
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methylpyrazolo[3,2-b][1,3]thiazole
CID 66856117
1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
Pyrrolo[2,1-b]thiazole
CID 15326816
Pyrrolo[2,1-b][1,3,4]thiadiazol-7-amine
CID 21107780
2-Methylpyrrolo[2,1-b]thiazole
CID 45087717
[1,3]Thiazolo[3,2-b]pyridazin-4-ium
CID 57465027
5-Pyrazol-1-ylthiophene-2-thiol
CID 70532458
6-Methyl-2-propan-2-ylpyrrolo[2,1-b][1,3,4]thiadiazole
CID 88992520
2,6-Dimethylpyrrolo[2,1-b][1,3,4]thiadiazole
CID 118516521
Pyrrolo[2,1-b][1,3]thiazole;hydrobromide
CID 141031142
Pyrrolo[2,1-b][1,3]thiazole;hydrochloride
CID 141312251
1-Pyrrol-1-ylpyrrole;thiophene
CID 175023544

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of pyrrolo[2,1-b][1,3,4]thiadiazole (CID 59421469) is pyrrolo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for pyrrolo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for pyrrolo[2,1-b][1,3,4]thiadiazole is c1cc2scnn2c1.
What is the InChIKey of pyrrolo[2,1-b][1,3,4]thiadiazole?
The InChIKey is KSVJLHBCVAIUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c1-2-5-7(3-1)6-4-8-5/h1-4H.
What are the key properties of pyrrolo[2,1-b][1,3,4]thiadiazole?
pyrrolo[2,1-b][1,3,4]thiadiazole has a molecular weight of 124.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 59421469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).