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

C10H14N6OS2 — CID 80885718

IUPACN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H14N6OS2/c1-5(2)17-8-12-7(11-4)13-9(14-8)19-10-16-15-6(3)18-10/h5H,1-4H3,(H,11,12,13,14)
InChIKeyBDNYJJMHPRPIIJ-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.01
Rot. Bonds5

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

N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80885718) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80885718
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC NameN-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H14N6OS2/c1-5(2)17-8-12-7(11-4)13-9(14-8)19-10-16-15-6(3)18-10/h5H,1-4H3,(H,11,12,13,14)
InChIKeyBDNYJJMHPRPIIJ-UHFFFAOYSA-N
XLogP2.01
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80885718) is N-methyl-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 N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is BDNYJJMHPRPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-5(2)17-8-12-7(11-4)13-9(14-8)19-10-16-15-6(3)18-10/h5H,1-4H3,(H,11,12,13,14).
What are the key properties of N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-methyl-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 298.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 80885718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).