5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine

C6H5N5S — CID 121407674

IUPAC5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccncn2)s1
InChIInChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-1-2-8-3-9-4/h1-3H,(H2,7,11)
InChIKeyYCKNVRDDWPUJOI-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.58
Rot. Bonds1

About 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine

5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine (PubChem CID 121407674) has the molecular formula C6H5N5S and a molecular weight of 179.21 g/mol. Its IUPAC name is 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine
PubChem CID121407674
Molecular FormulaC6H5N5S
Molecular Weight179.21 g/mol
Exact Mass179.03
IUPAC Name5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccncn2)s1
InChIInChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-1-2-8-3-9-4/h1-3H,(H2,7,11)
InChIKeyYCKNVRDDWPUJOI-UHFFFAOYSA-N
XLogP0.58
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine (CID 121407674) is 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccncn2)s1.
What is the InChIKey of 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YCKNVRDDWPUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5S/c7-6-11-10-5(12-6)4-1-2-8-3-9-4/h1-3H,(H2,7,11).
What are the key properties of 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine?
5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 179.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-4-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 121407674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).