N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine

C14H25N3OS — CID 104961341

IUPACN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)5-15-6-13-9-19-14(16-13)17-7-11(3)18-12(4)8-17/h9-12,15H,5-8H2,1-4H3/t11-,12+
InChIKeyCMVJVBKYRBEWLM-TXEJJXNPSA-N
MW283.44 g/mol
LogP2.50
Rot. Bonds5

About N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104961341) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID104961341
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)5-15-6-13-9-19-14(16-13)17-7-11(3)18-12(4)8-17/h9-12,15H,5-8H2,1-4H3/t11-,12+
InChIKeyCMVJVBKYRBEWLM-TXEJJXNPSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107459866
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 64578513
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 98784933
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
(2S,6R)-4-(4-isocyano-1,3-thiazol-2-yl)-2,6-dimethylmorpholine
CID 88917393
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine (CID 104961341) is N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1csc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CMVJVBKYRBEWLM-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)5-15-6-13-9-19-14(16-13)17-7-11(3)18-12(4)8-17/h9-12,15H,5-8H2,1-4H3/t11-,12+.
What are the key properties of N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104961341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).