5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C8H9N5S2 — CID 56693069

IUPAC5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)nc(Sc2nnc(N)s2)n1
InChIInChI=1S/C8H9N5S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3,(H2,9,12)
InChIKeyKDEHYNARTCJGMU-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.68
Rot. Bonds2

About 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 56693069) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID56693069
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)nc(Sc2nnc(N)s2)n1
InChIInChI=1S/C8H9N5S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3,(H2,9,12)
InChIKeyKDEHYNARTCJGMU-UHFFFAOYSA-N
XLogP1.68
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 56693069) is 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Cc1cc(C)nc(Sc2nnc(N)s2)n1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KDEHYNARTCJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-4-3-5(2)11-7(10-4)15-8-13-12-6(9)14-8/h3H,1-2H3,(H2,9,12).
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56693069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).