5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine

C8H12N6S — CID 70283198

IUPAC5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine
SMILESCCc1nnc(N)s1.Nc1ncccn1
InChIInChI=1S/C4H7N3S.C4H5N3/c1-2-3-6-7-4(5)8-3;5-4-6-2-1-3-7-4/h2H2,1H3,(H2,5,7);1-3H,(H2,5,6,7)
InChIKeyVKECPXFFXGKIMM-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.74
Rot. Bonds1

About 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine

5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine (PubChem CID 70283198) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine
PubChem CID70283198
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine
SMILESCCc1nnc(N)s1.Nc1ncccn1
InChIInChI=1S/C4H7N3S.C4H5N3/c1-2-3-6-7-4(5)8-3;5-4-6-2-1-3-7-4/h2H2,1H3,(H2,5,7);1-3H,(H2,5,6,7)
InChIKeyVKECPXFFXGKIMM-UHFFFAOYSA-N
XLogP0.74
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine?
The IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine (CID 70283198) is 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine is CCc1nnc(N)s1.Nc1ncccn1.
What is the InChIKey of 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine?
The InChIKey is VKECPXFFXGKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.C4H5N3/c1-2-3-6-7-4(5)8-3;5-4-6-2-1-3-7-4/h2H2,1H3,(H2,5,7);1-3H,(H2,5,6,7).
What are the key properties of 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine?
5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine has a molecular weight of 224.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4-thiadiazol-2-amine;pyrimidin-2-amine is sourced from PubChem (CID 70283198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).