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

C13H23N3OS — CID 62750957

IUPACN-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOC(C)(C)C2)s1
InChIInChI=1S/C13H23N3OS/c1-4-5-14-8-11-9-15-12(18-11)16-6-7-17-13(2,3)10-16/h9,14H,4-8,10H2,1-3H3
InChIKeyXLPPBGLJAQCPPV-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds5

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

N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62750957) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62750957
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOC(C)(C)C2)s1
InChIInChI=1S/C13H23N3OS/c1-4-5-14-8-11-9-15-12(18-11)16-6-7-17-13(2,3)10-16/h9,14H,4-8,10H2,1-3H3
InChIKeyXLPPBGLJAQCPPV-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62751979
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766790
N-[[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62753450
N-[[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107925530
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967414
N-[[2-(azepan-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425438
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102746189
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79170468
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 64580439
N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750953

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62750957) is N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCOC(C)(C)C2)s1.
What is the InChIKey of N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is XLPPBGLJAQCPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-5-14-8-11-9-15-12(18-11)16-6-7-17-13(2,3)10-16/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62750957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).