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

C10H14N6OS3 — CID 115384338

IUPACN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C10H14N6OS3/c1-4-5-17-7-12-6(11-2)13-8(14-7)19-10-16-15-9(18-3)20-10/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyQCVHJGFXPPYZTC-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.43
Rot. Bonds7

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

N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 115384338) has the molecular formula C10H14N6OS3 and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID115384338
Molecular FormulaC10H14N6OS3
Molecular Weight330.46 g/mol
Exact Mass330.04
IUPAC NameN-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C10H14N6OS3/c1-4-5-17-7-12-6(11-2)13-8(14-7)19-10-16-15-9(18-3)20-10/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyQCVHJGFXPPYZTC-UHFFFAOYSA-N
XLogP2.43
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (CID 115384338) is N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Sc2nnc(SC)s2)n1.
What is the InChIKey of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is QCVHJGFXPPYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS3/c1-4-5-17-7-12-6(11-2)13-8(14-7)19-10-16-15-9(18-3)20-10/h4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 330.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115384338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).