5-pyrrol-1-ylthiadiazole

C6H5N3S — CID 66952443

IUPAC5-pyrrol-1-ylthiadiazole
SMILESc1ccn(-c2cnns2)c1
InChIInChI=1S/C6H5N3S/c1-2-4-9(3-1)6-5-7-8-10-6/h1-5H
InChIKeyDGCBMEKZRWMUED-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.33
Rot. Bonds1

About 5-pyrrol-1-ylthiadiazole

5-pyrrol-1-ylthiadiazole (PubChem CID 66952443) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 5-pyrrol-1-ylthiadiazole.

Molecular Properties

Compound Name5-pyrrol-1-ylthiadiazole
PubChem CID66952443
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name5-pyrrol-1-ylthiadiazole
SMILESc1ccn(-c2cnns2)c1
InChIInChI=1S/C6H5N3S/c1-2-4-9(3-1)6-5-7-8-10-6/h1-5H
InChIKeyDGCBMEKZRWMUED-UHFFFAOYSA-N
XLogP1.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-ylthiadiazole?
The IUPAC name of 5-pyrrol-1-ylthiadiazole (CID 66952443) is 5-pyrrol-1-ylthiadiazole.
What is the SMILES notation for 5-pyrrol-1-ylthiadiazole?
The canonical SMILES for 5-pyrrol-1-ylthiadiazole is c1ccn(-c2cnns2)c1.
What is the InChIKey of 5-pyrrol-1-ylthiadiazole?
The InChIKey is DGCBMEKZRWMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c1-2-4-9(3-1)6-5-7-8-10-6/h1-5H.
What are the key properties of 5-pyrrol-1-ylthiadiazole?
5-pyrrol-1-ylthiadiazole has a molecular weight of 151.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-ylthiadiazole is sourced from PubChem (CID 66952443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).