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

C15H21N3OS2 — CID 95346789

IUPACN,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3cccs3)n2)CCO1
InChIInChI=1S/C15H21N3OS2/c1-17(2)9-13-10-18(5-6-19-13)8-12-11-21-15(16-12)14-4-3-7-20-14/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUBQCBXKIVGREMG-ZDUSSCGKSA-N
MW323.49 g/mol
LogP2.63
Rot. Bonds5

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

N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 95346789) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
PubChem CID95346789
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC NameN,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(Cc2csc(-c3cccs3)n2)CCO1
InChIInChI=1S/C15H21N3OS2/c1-17(2)9-13-10-18(5-6-19-13)8-12-11-21-15(16-12)14-4-3-7-20-14/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m0/s1
InChIKeyUBQCBXKIVGREMG-ZDUSSCGKSA-N
XLogP2.63
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine (CID 95346789) is N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine is CN(C)C[C@H]1CN(Cc2csc(-c3cccs3)n2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is UBQCBXKIVGREMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-17(2)9-13-10-18(5-6-19-13)8-12-11-21-15(16-12)14-4-3-7-20-14/h3-4,7,11,13H,5-6,8-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 323.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 95346789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).