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

C10H14F3N3OS — CID 120844492

IUPAC[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16/h4,7H,1-3,5-6,14H2
InChIKeyUMGHRYNHJBCOHV-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.32
Rot. Bonds3

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

[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine (PubChem CID 120844492) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine
PubChem CID120844492
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16/h4,7H,1-3,5-6,14H2
InChIKeyUMGHRYNHJBCOHV-UHFFFAOYSA-N
XLogP1.32
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine 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 [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine (CID 120844492) is [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2cnc(C(F)(F)F)s2)CCO1.
What is the InChIKey of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine?
The InChIKey is UMGHRYNHJBCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)9-15-4-8(18-9)6-16-1-2-17-7(3-14)5-16/h4,7H,1-3,5-6,14H2.
What are the key properties of [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine?
[4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine has a molecular weight of 281.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 120844492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).