[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C15H19N3OS — CID 79088543

IUPAC[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCN1CCOC(c2nc(CN)c(-c3ccccc3)s2)C1
InChIInChI=1S/C15H19N3OS/c1-18-7-8-19-13(10-18)15-17-12(9-16)14(20-15)11-5-3-2-4-6-11/h2-6,13H,7-10,16H2,1H3
InChIKeyUEHMDRYQMMQRDD-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.27
Rot. Bonds3

About [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 79088543) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID79088543
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESCN1CCOC(c2nc(CN)c(-c3ccccc3)s2)C1
InChIInChI=1S/C15H19N3OS/c1-18-7-8-19-13(10-18)15-17-12(9-16)14(20-15)11-5-3-2-4-6-11/h2-6,13H,7-10,16H2,1H3
InChIKeyUEHMDRYQMMQRDD-UHFFFAOYSA-N
XLogP2.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 79088543) is [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine is CN1CCOC(c2nc(CN)c(-c3ccccc3)s2)C1.
What is the InChIKey of [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is UEHMDRYQMMQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-7-8-19-13(10-18)15-17-12(9-16)14(20-15)11-5-3-2-4-6-11/h2-6,13H,7-10,16H2,1H3.
What are the key properties of [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 79088543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).