4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C9H11N5OS2 — CID 80886405

IUPAC4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2nccs2)n1
InChIInChI=1S/C9H11N5OS2/c1-3-15-7-12-6(10-2)13-8(14-7)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyKTESZULOQSTPCK-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.92
Rot. Bonds5

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

4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 80886405) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID80886405
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2nccs2)n1
InChIInChI=1S/C9H11N5OS2/c1-3-15-7-12-6(10-2)13-8(14-7)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14)
InChIKeyKTESZULOQSTPCK-UHFFFAOYSA-N
XLogP1.92
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80923215
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604911
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 113401725
4-ethoxy-N-ethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894893
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
6-ethoxy-4-N-methyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781075

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 80886405) is 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Sc2nccs2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is KTESZULOQSTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-3-15-7-12-6(10-2)13-8(14-7)17-9-11-4-5-16-9/h4-5H,3H2,1-2H3,(H,10,12,13,14).
What are the key properties of 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).