5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine

C20H19F3N6S — CID 88591403

IUPAC5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCCC3)n2)s1
InChIInChI=1S/C20H19F3N6S/c1-13-12-24-19(30-13)28-17-25-16(26-18(27-17)29-9-2-3-10-29)8-7-14-5-4-6-15(11-14)20(21,22)23/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25,26,27,28)/b8-7+
InChIKeyVNQNSIOAWPMVSU-BQYQJAHWSA-N
MW432.48 g/mol
LogP5.17
Rot. Bonds5

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

5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 88591403) has the molecular formula C20H19F3N6S and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
PubChem CID88591403
Molecular FormulaC20H19F3N6S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCCC3)n2)s1
InChIInChI=1S/C20H19F3N6S/c1-13-12-24-19(30-13)28-17-25-16(26-18(27-17)29-9-2-3-10-29)8-7-14-5-4-6-15(11-14)20(21,22)23/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25,26,27,28)/b8-7+
InChIKeyVNQNSIOAWPMVSU-BQYQJAHWSA-N
XLogP5.17
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine (CID 88591403) is 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCCC3)n2)s1.
What is the InChIKey of 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is VNQNSIOAWPMVSU-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19F3N6S/c1-13-12-24-19(30-13)28-17-25-16(26-18(27-17)29-9-2-3-10-29)8-7-14-5-4-6-15(11-14)20(21,22)23/h4-8,11-12H,2-3,9-10H2,1H3,(H,24,25,26,27,28)/b8-7+.
What are the key properties of 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine?
5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 432.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-pyrrolidin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88591403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).