4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine

C10H12N4OS2 — CID 80887884

IUPAC4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2cccs2)n1
InChIInChI=1S/C10H12N4OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyMRLONTAKOXYYHZ-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.46
Rot. Bonds5

About 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine

4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80887884) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80887884
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2cccs2)n1
InChIInChI=1S/C10H12N4OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14)
InChIKeyMRLONTAKOXYYHZ-UHFFFAOYSA-N
XLogP2.46
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80887884) is 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(Sc2cccs2)n1.
What is the InChIKey of 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is MRLONTAKOXYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-2-5-15-9-12-8(11)13-10(14-9)17-7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine?
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 268.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).