4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C8H10N6OS2 — CID 80893447

IUPAC4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2nncs2)n1
InChIInChI=1S/C8H10N6OS2/c1-4(2)15-6-11-5(9)12-7(13-6)17-8-14-10-3-16-8/h3-4H,1-2H3,(H2,9,11,12,13)
InChIKeyHQAPTVUHMDCRGE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.24
Rot. Bonds4

About 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80893447) has the molecular formula C8H10N6OS2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80893447
Molecular FormulaC8H10N6OS2
Molecular Weight270.34 g/mol
Exact Mass270.04
IUPAC Name4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2nncs2)n1
InChIInChI=1S/C8H10N6OS2/c1-4(2)15-6-11-5(9)12-7(13-6)17-8-14-10-3-16-8/h3-4H,1-2H3,(H2,9,11,12,13)
InChIKeyHQAPTVUHMDCRGE-UHFFFAOYSA-N
XLogP1.24
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80893447) is 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Sc2nncs2)n1.
What is the InChIKey of 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is HQAPTVUHMDCRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS2/c1-4(2)15-6-11-5(9)12-7(13-6)17-8-14-10-3-16-8/h3-4H,1-2H3,(H2,9,11,12,13).
What are the key properties of 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80893447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).