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

C9H8F3N5OS — CID 106784308

IUPAC4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H8F3N5OS/c1-13-7-15-5(16-8(17-7)18-2)4-3-14-6(19-4)9(10,11)12/h3H,1-2H3,(H,13,15,16,17)
InChIKeyASMTXUAGEGOPOF-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.06
Rot. Bonds3

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

4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine (PubChem CID 106784308) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
PubChem CID106784308
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(-c2cnc(C(F)(F)F)s2)n1
InChIInChI=1S/C9H8F3N5OS/c1-13-7-15-5(16-8(17-7)18-2)4-3-14-6(19-4)9(10,11)12/h3H,1-2H3,(H,13,15,16,17)
InChIKeyASMTXUAGEGOPOF-UHFFFAOYSA-N
XLogP2.06
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine (CID 106784308) is 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine is CNc1nc(OC)nc(-c2cnc(C(F)(F)F)s2)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The InChIKey is ASMTXUAGEGOPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-13-7-15-5(16-8(17-7)18-2)4-3-14-6(19-4)9(10,11)12/h3H,1-2H3,(H,13,15,16,17).
What are the key properties of 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine has a molecular weight of 291.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106784308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).