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

C10H14N6OS2 — CID 80885543

IUPAC4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H14N6OS2/c1-4-5-11-7-12-8(17-3)14-9(13-7)19-10-16-15-6(2)18-10/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyMPBWOYUVBQIULE-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.01
Rot. Bonds6

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

4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80885543) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
PubChem CID80885543
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H14N6OS2/c1-4-5-11-7-12-8(17-3)14-9(13-7)19-10-16-15-6(2)18-10/h4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyMPBWOYUVBQIULE-UHFFFAOYSA-N
XLogP2.01
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine (CID 80885543) is 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is MPBWOYUVBQIULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-4-5-11-7-12-8(17-3)14-9(13-7)19-10-16-15-6(2)18-10/h4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 298.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).