4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine

C9H12N6OS2 — CID 80894893

IUPAC4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2ncns2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-10-6-13-7(16-4-2)15-8(14-6)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15)
InChIKeyUXBVBPUCDUAQFE-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.70
Rot. Bonds6

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

4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80894893) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80894893
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC Name4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Sc2ncns2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-10-6-13-7(16-4-2)15-8(14-6)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15)
InChIKeyUXBVBPUCDUAQFE-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

Analyze 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894504
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80890904
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-ethoxy-N-ethyl-6-(3-fluorophenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80894947
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890385

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80894893) is 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(Sc2ncns2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is UXBVBPUCDUAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-3-10-6-13-7(16-4-2)15-8(14-6)17-9-11-5-12-18-9/h5H,3-4H2,1-2H3,(H,10,13,14,15).
What are the key properties of 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-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 4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).