3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine

C16H15F3N4OS — CID 143988984

IUPAC3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine
SMILESCOc1cc(C(F)(F)F)cc(-n2c(-c3cccs3)nc(C)c2N)c1N
InChIInChI=1S/C16H15F3N4OS/c1-8-14(21)23(15(22-8)12-4-3-5-25-12)10-6-9(16(17,18)19)7-11(24-2)13(10)20/h3-7H,20-21H2,1-2H3
InChIKeyGOFOZORAYQGCCX-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.10
Rot. Bonds3

About 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine

3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine (PubChem CID 143988984) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine
PubChem CID143988984
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine
SMILESCOc1cc(C(F)(F)F)cc(-n2c(-c3cccs3)nc(C)c2N)c1N
InChIInChI=1S/C16H15F3N4OS/c1-8-14(21)23(15(22-8)12-4-3-5-25-12)10-6-9(16(17,18)19)7-11(24-2)13(10)20/h3-7H,20-21H2,1-2H3
InChIKeyGOFOZORAYQGCCX-UHFFFAOYSA-N
XLogP4.10
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine?
The IUPAC name of 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine (CID 143988984) is 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine.
What is the SMILES notation for 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine?
The canonical SMILES for 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine is COc1cc(C(F)(F)F)cc(-n2c(-c3cccs3)nc(C)c2N)c1N.
What is the InChIKey of 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine?
The InChIKey is GOFOZORAYQGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-8-14(21)23(15(22-8)12-4-3-5-25-12)10-6-9(16(17,18)19)7-11(24-2)13(10)20/h3-7H,20-21H2,1-2H3.
What are the key properties of 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine?
3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine has a molecular weight of 368.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-2-thiophen-2-ylimidazol-4-amine is sourced from PubChem (CID 143988984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).