3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

C18H25N3OS — CID 71913365

IUPAC3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2cccc(CN3CC(C)OC(C)C3)c2)n1
InChIInChI=1S/C18H25N3OS/c1-13-12-23-18(20-13)8-19-17-6-4-5-16(7-17)11-21-9-14(2)22-15(3)10-21/h4-7,12,14-15,19H,8-11H2,1-3H3
InChIKeyLDWHLPISLFWEJQ-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.67
Rot. Bonds5

About 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline

3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 71913365) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
PubChem CID71913365
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
SMILESCc1csc(CNc2cccc(CN3CC(C)OC(C)C3)c2)n1
InChIInChI=1S/C18H25N3OS/c1-13-12-23-18(20-13)8-19-17-6-4-5-16(7-17)11-21-9-14(2)22-15(3)10-21/h4-7,12,14-15,19H,8-11H2,1-3H3
InChIKeyLDWHLPISLFWEJQ-UHFFFAOYSA-N
XLogP3.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline 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 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline (CID 71913365) is 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is Cc1csc(CNc2cccc(CN3CC(C)OC(C)C3)c2)n1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is LDWHLPISLFWEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13-12-23-18(20-13)8-19-17-6-4-5-16(7-17)11-21-9-14(2)22-15(3)10-21/h4-7,12,14-15,19H,8-11H2,1-3H3.
What are the key properties of 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline?
3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 331.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 71913365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).