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

C9H12ClF6N3S — CID 120905607

IUPAC5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN(CCC(F)(F)F)CC(F)(F)F)s1
InChIInChI=1S/C9H11F6N3S.ClH/c10-8(11,12)1-2-18(5-9(13,14)15)4-6-3-17-7(16)19-6;/h3H,1-2,4-5H2,(H2,16,17);1H
InChIKeyZQEYXWMSMRAWTA-UHFFFAOYSA-N
MW343.72 g/mol
LogP3.46
Rot. Bonds5

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

5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905607) has the molecular formula C9H12ClF6N3S and a molecular weight of 343.72 g/mol. Its IUPAC name is 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905607
Molecular FormulaC9H12ClF6N3S
Molecular Weight343.72 g/mol
Exact Mass343.03
IUPAC Name5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN(CCC(F)(F)F)CC(F)(F)F)s1
InChIInChI=1S/C9H11F6N3S.ClH/c10-8(11,12)1-2-18(5-9(13,14)15)4-6-3-17-7(16)19-6;/h3H,1-2,4-5H2,(H2,16,17);1H
InChIKeyZQEYXWMSMRAWTA-UHFFFAOYSA-N
XLogP3.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898883
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771928
5-[[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901635
2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486372
5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 120901430
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride
CID 120900718
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753
2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486285
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
2-[(2-amino-1,3-thiazol-5-yl)methyl-[(3-fluorophenyl)methyl]amino]ethanol;hydrochloride
CID 120905497

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905607) is 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN(CCC(F)(F)F)CC(F)(F)F)s1.
What is the InChIKey of 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZQEYXWMSMRAWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3S.ClH/c10-8(11,12)1-2-18(5-9(13,14)15)4-6-3-17-7(16)19-6;/h3H,1-2,4-5H2,(H2,16,17);1H.
What are the key properties of 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 343.72 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).