3-pyrimidin-4-yl-1,2,4-thiadiazole

C6H4N4S — CID 175473799

IUPAC3-pyrimidin-4-yl-1,2,4-thiadiazole
SMILESc1cc(-c2ncsn2)ncn1
InChIInChI=1S/C6H4N4S/c1-2-7-3-8-5(1)6-9-4-11-10-6/h1-4H
InChIKeyUDGVMMMBXXSQIK-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.00
Rot. Bonds1

About 3-pyrimidin-4-yl-1,2,4-thiadiazole

3-pyrimidin-4-yl-1,2,4-thiadiazole (PubChem CID 175473799) has the molecular formula C6H4N4S and a molecular weight of 164.19 g/mol. Its IUPAC name is 3-pyrimidin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-pyrimidin-4-yl-1,2,4-thiadiazole
PubChem CID175473799
Molecular FormulaC6H4N4S
Molecular Weight164.19 g/mol
Exact Mass164.02
IUPAC Name3-pyrimidin-4-yl-1,2,4-thiadiazole
SMILESc1cc(-c2ncsn2)ncn1
InChIInChI=1S/C6H4N4S/c1-2-7-3-8-5(1)6-9-4-11-10-6/h1-4H
InChIKeyUDGVMMMBXXSQIK-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 3-pyrimidin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 3-pyrimidin-4-yl-1,2,4-thiadiazole (CID 175473799) is 3-pyrimidin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-pyrimidin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-pyrimidin-4-yl-1,2,4-thiadiazole is c1cc(-c2ncsn2)ncn1.
What is the InChIKey of 3-pyrimidin-4-yl-1,2,4-thiadiazole?
The InChIKey is UDGVMMMBXXSQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4S/c1-2-7-3-8-5(1)6-9-4-11-10-6/h1-4H.
What are the key properties of 3-pyrimidin-4-yl-1,2,4-thiadiazole?
3-pyrimidin-4-yl-1,2,4-thiadiazole 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 3-pyrimidin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 175473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).