5-pyrimidin-2-ylthiadiazole

C6H4N4S — CID 146612997

IUPAC5-pyrimidin-2-ylthiadiazole
SMILESc1cnc(-c2cnns2)nc1
InChIInChI=1S/C6H4N4S/c1-2-7-6(8-3-1)5-4-9-10-11-5/h1-4H
InChIKeyMCDYUJYLMPJPOG-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.00
Rot. Bonds1

About 5-pyrimidin-2-ylthiadiazole

5-pyrimidin-2-ylthiadiazole (PubChem CID 146612997) has the molecular formula C6H4N4S and a molecular weight of 164.19 g/mol. Its IUPAC name is 5-pyrimidin-2-ylthiadiazole.

Molecular Properties

Compound Name5-pyrimidin-2-ylthiadiazole
PubChem CID146612997
Molecular FormulaC6H4N4S
Molecular Weight164.19 g/mol
Exact Mass164.02
IUPAC Name5-pyrimidin-2-ylthiadiazole
SMILESc1cnc(-c2cnns2)nc1
InChIInChI=1S/C6H4N4S/c1-2-7-6(8-3-1)5-4-9-10-11-5/h1-4H
InChIKeyMCDYUJYLMPJPOG-UHFFFAOYSA-N
XLogP1.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-2-ylthiadiazole?
The IUPAC name of 5-pyrimidin-2-ylthiadiazole (CID 146612997) is 5-pyrimidin-2-ylthiadiazole.
What is the SMILES notation for 5-pyrimidin-2-ylthiadiazole?
The canonical SMILES for 5-pyrimidin-2-ylthiadiazole is c1cnc(-c2cnns2)nc1.
What is the InChIKey of 5-pyrimidin-2-ylthiadiazole?
The InChIKey is MCDYUJYLMPJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4S/c1-2-7-6(8-3-1)5-4-9-10-11-5/h1-4H.
What are the key properties of 5-pyrimidin-2-ylthiadiazole?
5-pyrimidin-2-ylthiadiazole has a molecular weight of 164.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-2-ylthiadiazole is sourced from PubChem (CID 146612997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).