4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine

C8H8N4S2 — CID 2782092

IUPAC4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cccs2)n1
InChIInChI=1S/C8H8N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h2-4H,1H3,(H2,9,10,11,12)
InChIKeyDKBHZJZOKUMDEF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.90
Rot. Bonds2

About 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine

4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine (PubChem CID 2782092) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine
PubChem CID2782092
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cccs2)n1
InChIInChI=1S/C8H8N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h2-4H,1H3,(H2,9,10,11,12)
InChIKeyDKBHZJZOKUMDEF-UHFFFAOYSA-N
XLogP1.90
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Thiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 16454031
6-methyl-3-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 848918
6-(Thiophen-2-yl)-1,3,5-triazine-2,4-diamine
CID 100430
3-(5-Methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine
CID 35576615
2-N,2-N-dimethyl-6-[1-[methyl(thiophen-2-ylmethyl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 16366135
2-[[4-(Carboxymethylsulfanyl)-6-thiophen-2-yl-1,3,5-triazin-2-yl]sulfanyl]acetic acid
CID 164613348
2,4,6-Tri(thiophen-2-yl)-1,3,5-triazine
CID 12208118
2,4-Bis(thiophen-2-yl)-6-chloro-1,3,5-triazine
CID 21413009
N-methyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
CID 2746626
2-(2'-Thienyl)-4,3,5-triazine
CID 11458737
2,4-Dichloro-6-(thiophen-2-yl)-1,3,5-triazine
CID 21828679
6-(5-Bromothiophen-2-YL)-1,3,5-triazine-2,4-diamine
CID 53433279

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine (CID 2782092) is 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2cccs2)n1.
What is the InChIKey of 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine?
The InChIKey is DKBHZJZOKUMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h2-4H,1H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-thiophen-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2782092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).