N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

C9H12N6OS2 — CID 80894790

IUPACN-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ncns2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-4-16-7-13-6(10-2)14-8(15-7)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15)
InChIKeyOLTZGSXHNNAHTB-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.70
Rot. Bonds6

About N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80894790) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80894790
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC NameN-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2ncns2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-4-16-7-13-6(10-2)14-8(15-7)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15)
InChIKeyOLTZGSXHNNAHTB-UHFFFAOYSA-N
XLogP1.70
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894893
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-(3-fluorophenyl)sulfanyl-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890427
4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894504
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80894790) is N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Sc2ncns2)n1.
What is the InChIKey of N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is OLTZGSXHNNAHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-3-4-16-7-13-6(10-2)14-8(15-7)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15).
What are the key properties of N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).