2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride

C11H17ClF3N3OS — CID 171505792

IUPAC2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN.Cl
InChIInChI=1S/C11H16F3N3OS.ClH/c1-7-8(2-3-15)19-10(16-7)17-4-5-18-9(6-17)11(12,13)14;/h9H,2-6,15H2,1H3;1H/t9-;/m1./s1
InChIKeyUSAZJBLPLCOXAH-SBSPUUFOSA-N
MW331.79 g/mol
LogP2.14
Rot. Bonds3

About 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride

2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride (PubChem CID 171505792) has the molecular formula C11H17ClF3N3OS and a molecular weight of 331.79 g/mol. Its IUPAC name is 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride
PubChem CID171505792
Molecular FormulaC11H17ClF3N3OS
Molecular Weight331.79 g/mol
Exact Mass331.07
IUPAC Name2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride
SMILESCc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN.Cl
InChIInChI=1S/C11H16F3N3OS.ClH/c1-7-8(2-3-15)19-10(16-7)17-4-5-18-9(6-17)11(12,13)14;/h9H,2-6,15H2,1H3;1H/t9-;/m1./s1
InChIKeyUSAZJBLPLCOXAH-SBSPUUFOSA-N
XLogP2.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;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 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride (CID 171505792) is 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride is Cc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN.Cl.
What is the InChIKey of 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is USAZJBLPLCOXAH-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H16F3N3OS.ClH/c1-7-8(2-3-15)19-10(16-7)17-4-5-18-9(6-17)11(12,13)14;/h9H,2-6,15H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride?
2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 331.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 171505792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).