N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C10H14F3N3S — CID 114159739

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESNCCc1nc(CNC2(C(F)(F)F)CC2)cs1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9(2-3-9)15-5-7-6-17-8(16-7)1-4-14/h6,15H,1-5,14H2
InChIKeyZJQLKZBKRFYMGZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.83
Rot. Bonds5

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114159739) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114159739
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESNCCc1nc(CNC2(C(F)(F)F)CC2)cs1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9(2-3-9)15-5-7-6-17-8(16-7)1-4-14/h6,15H,1-5,14H2
InChIKeyZJQLKZBKRFYMGZ-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 114159739) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is NCCc1nc(CNC2(C(F)(F)F)CC2)cs1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is ZJQLKZBKRFYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)9(2-3-9)15-5-7-6-17-8(16-7)1-4-14/h6,15H,1-5,14H2.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114159739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).