5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten

C12H12F3N3SW — CID 159123018

IUPAC5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten
SMILESCC(N)c1cnc(Nc2cccc(C(F)(F)F)c2)s1.[W]
InChIInChI=1S/C12H12F3N3S.W/c1-7(16)10-6-17-11(19-10)18-9-4-2-3-8(5-9)12(13,14)15;/h2-7H,16H2,1H3,(H,17,18);
InChIKeyKFXYYTGLUCGUOG-UHFFFAOYSA-N
MW471.15 g/mol
LogP3.92
Rot. Bonds3

About 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten

5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten (PubChem CID 159123018) has the molecular formula C12H12F3N3SW and a molecular weight of 471.15 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten
PubChem CID159123018
Molecular FormulaC12H12F3N3SW
Molecular Weight471.15 g/mol
Exact Mass471.02
IUPAC Name5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten
SMILESCC(N)c1cnc(Nc2cccc(C(F)(F)F)c2)s1.[W]
InChIInChI=1S/C12H12F3N3S.W/c1-7(16)10-6-17-11(19-10)18-9-4-2-3-8(5-9)12(13,14)15;/h2-7H,16H2,1H3,(H,17,18);
InChIKeyKFXYYTGLUCGUOG-UHFFFAOYSA-N
XLogP3.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.15
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten?
The IUPAC name of 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten (CID 159123018) is 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten.
What is the SMILES notation for 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten?
The canonical SMILES for 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten is CC(N)c1cnc(Nc2cccc(C(F)(F)F)c2)s1.[W].
What is the InChIKey of 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten?
The InChIKey is KFXYYTGLUCGUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S.W/c1-7(16)10-6-17-11(19-10)18-9-4-2-3-8(5-9)12(13,14)15;/h2-7H,16H2,1H3,(H,17,18);.
What are the key properties of 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten?
5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten has a molecular weight of 471.15 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;tungsten is sourced from PubChem (CID 159123018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).