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

C15H27N3OS — CID 62968144

IUPACN-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCOC(C)C2)nc1CC
InChIInChI=1S/C15H27N3OS/c1-4-7-16-10-14-13(5-2)17-15(20-14)18-8-6-9-19-12(3)11-18/h12,16H,4-11H2,1-3H3
InChIKeyOLRTYJUTAGVRPX-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.82
Rot. Bonds6

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

N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62968144) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62968144
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCOC(C)C2)nc1CC
InChIInChI=1S/C15H27N3OS/c1-4-7-16-10-14-13(5-2)17-15(20-14)18-8-6-9-19-12(3)11-18/h12,16H,4-11H2,1-3H3
InChIKeyOLRTYJUTAGVRPX-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62968144) is N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCCOC(C)C2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OLRTYJUTAGVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-7-16-10-14-13(5-2)17-15(20-14)18-8-6-9-19-12(3)11-18/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62968144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).