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

C12H20N2OS — CID 104772225

IUPACN-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-3-5-13-7-10-4-6-15-11(10)12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyIFMPRINWANJAFJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.53
Rot. Bonds5

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

N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 104772225) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID104772225
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-3-5-13-7-10-4-6-15-11(10)12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyIFMPRINWANJAFJ-UHFFFAOYSA-N
XLogP2.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-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-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine (CID 104772225) is N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1nc(C)cs1.
What is the InChIKey of N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is IFMPRINWANJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-5-13-7-10-4-6-15-11(10)12-14-9(2)8-16-12/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine?
N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 104772225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).