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

C11H16N6OS2 — CID 80885450

IUPACN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H16N6OS2/c1-4-6-18-9-13-8(12-5-2)14-10(15-9)20-11-17-16-7(3)19-11/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyAJEUCOLVLMZQJB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.40
Rot. Bonds7

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

N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80885450) has the molecular formula C11H16N6OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80885450
Molecular FormulaC11H16N6OS2
Molecular Weight312.42 g/mol
Exact Mass312.08
IUPAC NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H16N6OS2/c1-4-6-18-9-13-8(12-5-2)14-10(15-9)20-11-17-16-7(3)19-11/h4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyAJEUCOLVLMZQJB-UHFFFAOYSA-N
XLogP2.40
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (CID 80885450) is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is AJEUCOLVLMZQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS2/c1-4-6-18-9-13-8(12-5-2)14-10(15-9)20-11-17-16-7(3)19-11/h4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).