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

C9H12N6OS2 — CID 80885638

IUPAC4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-4-16-7-11-6(10)12-8(13-7)18-9-15-14-5(2)17-9/h3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyZSZAJTCJECPHHB-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.55
Rot. Bonds5

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

4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80885638) has the molecular formula C9H12N6OS2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80885638
Molecular FormulaC9H12N6OS2
Molecular Weight284.37 g/mol
Exact Mass284.05
IUPAC Name4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H12N6OS2/c1-3-4-16-7-11-6(10)12-8(13-7)18-9-15-14-5(2)17-9/h3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyZSZAJTCJECPHHB-UHFFFAOYSA-N
XLogP1.55
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
2-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859365
2-[(4-Chloro-6-propoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62866872
2-[(4-Chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62867050
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80873505
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80873628
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80885263
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80885450
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80885718
4-ethoxy-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885811
4-methoxy-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885816
4-Methoxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885913

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine (CID 80885638) is 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZSZAJTCJECPHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS2/c1-3-4-16-7-11-6(10)12-8(13-7)18-9-15-14-5(2)17-9/h3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).