5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C9H15ClF3N3OS — CID 120899396

IUPAC5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOCCN(Cc1cnc(N)s1)CC(F)(F)F.Cl
InChIInChI=1S/C9H14F3N3OS.ClH/c1-16-3-2-15(6-9(10,11)12)5-7-4-14-8(13)17-7;/h4H,2-3,5-6H2,1H3,(H2,13,14);1H
InChIKeyAJQDZJSLEZYJOE-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.16
Rot. Bonds6

About 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120899396) has the molecular formula C9H15ClF3N3OS and a molecular weight of 305.75 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120899396
Molecular FormulaC9H15ClF3N3OS
Molecular Weight305.75 g/mol
Exact Mass305.06
IUPAC Name5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCOCCN(Cc1cnc(N)s1)CC(F)(F)F.Cl
InChIInChI=1S/C9H14F3N3OS.ClH/c1-16-3-2-15(6-9(10,11)12)5-7-4-14-8(13)17-7;/h4H,2-3,5-6H2,1H3,(H2,13,14);1H
InChIKeyAJQDZJSLEZYJOE-UHFFFAOYSA-N
XLogP2.16
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride 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-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120899396) is 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is COCCN(Cc1cnc(N)s1)CC(F)(F)F.Cl.
What is the InChIKey of 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is AJQDZJSLEZYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS.ClH/c1-16-3-2-15(6-9(10,11)12)5-7-4-14-8(13)17-7;/h4H,2-3,5-6H2,1H3,(H2,13,14);1H.
What are the key properties of 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 305.75 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120899396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).