[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride

C12H12ClF3N2OS — CID 159339368

IUPAC[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(COc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C12H11F3N2OS.ClH/c13-12(14,15)9-3-1-2-4-10(9)18-6-8-7-19-11(5-16)17-8;/h1-4,7H,5-6,16H2;1H
InChIKeyUGOBMWPMOKTHFY-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.62
Rot. Bonds4

About [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride

[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 159339368) has the molecular formula C12H12ClF3N2OS and a molecular weight of 324.76 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID159339368
Molecular FormulaC12H12ClF3N2OS
Molecular Weight324.76 g/mol
Exact Mass324.03
IUPAC Name[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(COc2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C12H11F3N2OS.ClH/c13-12(14,15)9-3-1-2-4-10(9)18-6-8-7-19-11(5-16)17-8;/h1-4,7H,5-6,16H2;1H
InChIKeyUGOBMWPMOKTHFY-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 106598242
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 159339368) is [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.NCc1nc(COc2ccccc2C(F)(F)F)cs1.
What is the InChIKey of [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is UGOBMWPMOKTHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS.ClH/c13-12(14,15)9-3-1-2-4-10(9)18-6-8-7-19-11(5-16)17-8;/h1-4,7H,5-6,16H2;1H.
What are the key properties of [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride?
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 324.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 159339368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).