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

C11H16F3N3OS — CID 171505793

IUPAC2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN
InChIInChI=1S/C11H16F3N3OS/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/t9-/m1/s1
InChIKeyCYQMLNJUGHXPJX-SECBINFHSA-N
MW295.33 g/mol
LogP1.72
Rot. Bonds3

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

2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 171505793) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
PubChem CID171505793
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN
InChIInChI=1S/C11H16F3N3OS/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/t9-/m1/s1
InChIKeyCYQMLNJUGHXPJX-SECBINFHSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine (CID 171505793) is 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine is Cc1nc(N2CCO[C@@H](C(F)(F)F)C2)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is CYQMLNJUGHXPJX-SECBINFHSA-N. The full InChI is InChI=1S/C11H16F3N3OS/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/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?
2-[4-methyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 295.33 g/mol, XLogP of 1.72, 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 is sourced from PubChem (CID 171505793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).