4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine

C6H6N6S2 — CID 83084460

IUPAC4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2csnn2)n1
InChIInChI=1S/C6H6N6S2/c1-13-6-9-4(8-5(7)10-6)3-2-14-12-11-3/h2H,1H3,(H2,7,8,9,10)
InChIKeyAABXQHFJDGOYLB-UHFFFAOYSA-N
MW226.29 g/mol
LogP0.69
Rot. Bonds2

About 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 83084460) has the molecular formula C6H6N6S2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID83084460
Molecular FormulaC6H6N6S2
Molecular Weight226.29 g/mol
Exact Mass226.01
IUPAC Name4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2csnn2)n1
InChIInChI=1S/C6H6N6S2/c1-13-6-9-4(8-5(7)10-6)3-2-14-12-11-3/h2H,1H3,(H2,7,8,9,10)
InChIKeyAABXQHFJDGOYLB-UHFFFAOYSA-N
XLogP0.69
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1,3,5-Triazin-2-yl)thiadiazole
CID 57269439
4-Methylsulfanyl-6-(4-methylthiadiazol-5-yl)-1,3,5-triazin-2-amine
CID 83083788
4-Chloro-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine
CID 83241012
6-(Thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 112681501

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine (CID 83084460) is 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2csnn2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is AABXQHFJDGOYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6S2/c1-13-6-9-4(8-5(7)10-6)3-2-14-12-11-3/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 226.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(thiadiazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).