5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C11H18F3N3S — CID 79774342

IUPAC5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3S/c1-3-5-15-10-16-7-9(18-10)8-17(2)6-4-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyWRUFGBJQWNCZOT-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.35
Rot. Bonds7

About 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774342) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774342
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3S/c1-3-5-15-10-16-7-9(18-10)8-17(2)6-4-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyWRUFGBJQWNCZOT-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774342) is 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)CCC(F)(F)F)s1.
What is the InChIKey of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is WRUFGBJQWNCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-3-5-15-10-16-7-9(18-10)8-17(2)6-4-11(12,13)14/h7H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).