N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine

C18H25N3OS — CID 26315386

IUPACN,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCN(C)CC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C18H25N3OS/c1-20(2)9-8-16-12-21(10-11-22-16)13-18-19-17(14-23-18)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyHHQQWDWWIHIZHI-INIZCTEOSA-N
MW331.48 g/mol
LogP2.96
Rot. Bonds6

About N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine

N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine (PubChem CID 26315386) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
PubChem CID26315386
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC NameN,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
SMILESCN(C)CC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C18H25N3OS/c1-20(2)9-8-16-12-21(10-11-22-16)13-18-19-17(14-23-18)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m0/s1
InChIKeyHHQQWDWWIHIZHI-INIZCTEOSA-N
XLogP2.96
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine 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 N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine (CID 26315386) is N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine is CN(C)CC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is HHQQWDWWIHIZHI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-20(2)9-8-16-12-21(10-11-22-16)13-18-19-17(14-23-18)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine?
N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 331.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2S)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 26315386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).