4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C10H9F3N6S — CID 154788298

IUPAC4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc2c(s1)CN(c1nc(N)nc(C(F)(F)F)n1)C2
InChIInChI=1S/C10H9F3N6S/c1-4-15-5-2-19(3-6(5)20-4)9-17-7(10(11,12)13)16-8(14)18-9/h2-3H2,1H3,(H2,14,16,17,18)
InChIKeyLYGRHVKXQZKBOO-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.76
Rot. Bonds1

About 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 154788298) has the molecular formula C10H9F3N6S and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID154788298
Molecular FormulaC10H9F3N6S
Molecular Weight302.29 g/mol
Exact Mass302.06
IUPAC Name4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc2c(s1)CN(c1nc(N)nc(C(F)(F)F)n1)C2
InChIInChI=1S/C10H9F3N6S/c1-4-15-5-2-19(3-6(5)20-4)9-17-7(10(11,12)13)16-8(14)18-9/h2-3H2,1H3,(H2,14,16,17,18)
InChIKeyLYGRHVKXQZKBOO-UHFFFAOYSA-N
XLogP1.76
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 154788298) is 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Cc1nc2c(s1)CN(c1nc(N)nc(C(F)(F)F)n1)C2.
What is the InChIKey of 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is LYGRHVKXQZKBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6S/c1-4-15-5-2-19(3-6(5)20-4)9-17-7(10(11,12)13)16-8(14)18-9/h2-3H2,1H3,(H2,14,16,17,18).
What are the key properties of 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 302.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 154788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).