N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C15H27N3O2S — CID 107509788

IUPACN-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CC(C)OCC2C)nc1COC
InChIInChI=1S/C15H27N3O2S/c1-5-6-16-7-14-13(10-19-4)17-15(21-14)18-8-12(3)20-9-11(18)2/h11-12,16H,5-10H2,1-4H3
InChIKeyAXIRTPZULMWGMC-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.40
Rot. Bonds7

About N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 107509788) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID107509788
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CC(C)OCC2C)nc1COC
InChIInChI=1S/C15H27N3O2S/c1-5-6-16-7-14-13(10-19-4)17-15(21-14)18-8-12(3)20-9-11(18)2/h11-12,16H,5-10H2,1-4H3
InChIKeyAXIRTPZULMWGMC-UHFFFAOYSA-N
XLogP2.40
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-cyclopropyl-2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915788
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509520
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510551
2-methoxy-N-[[4-(methoxymethyl)-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509555
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510796
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62968144
N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510481
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509491

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 107509788) is N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CC(C)OCC2C)nc1COC.
What is the InChIKey of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is AXIRTPZULMWGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-6-16-7-14-13(10-19-4)17-15(21-14)18-8-12(3)20-9-11(18)2/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 313.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 107509788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).