4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C9H12N6OS2 — CID 80886274

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(N)nc(OC(C)C)n2)s1
InChIInChI=1S/C9H12N6OS2/c1-4(2)16-7-11-6(10)12-8(13-7)18-9-15-14-5(3)17-9/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyUFVRXFHNZFBTNL-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.55
Rot. Bonds4

About 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80886274) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80886274
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(N)nc(OC(C)C)n2)s1
InChIInChI=1S/C9H12N6OS2/c1-4(2)16-7-11-6(10)12-8(13-7)18-9-15-14-5(3)17-9/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyUFVRXFHNZFBTNL-UHFFFAOYSA-N
XLogP1.55
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80886274) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1nnc(Sc2nc(N)nc(OC(C)C)n2)s1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is UFVRXFHNZFBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-4(2)16-7-11-6(10)12-8(13-7)18-9-15-14-5(3)17-9/h4H,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).