N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine

C12H21N3OS — CID 55251960

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine
SMILESCc1ncc(CNCCOC2CCNCC2)s1
InChIInChI=1S/C12H21N3OS/c1-10-15-9-12(17-10)8-14-6-7-16-11-2-4-13-5-3-11/h9,11,13-14H,2-8H2,1H3
InChIKeyMXMGZFNGTKOXHS-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.31
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine (PubChem CID 55251960) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine
PubChem CID55251960
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine
SMILESCc1ncc(CNCCOC2CCNCC2)s1
InChIInChI=1S/C12H21N3OS/c1-10-15-9-12(17-10)8-14-6-7-16-11-2-4-13-5-3-11/h9,11,13-14H,2-8H2,1H3
InChIKeyMXMGZFNGTKOXHS-UHFFFAOYSA-N
XLogP1.31
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine 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-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine (CID 55251960) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine is Cc1ncc(CNCCOC2CCNCC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine?
The InChIKey is MXMGZFNGTKOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-15-9-12(17-10)8-14-6-7-16-11-2-4-13-5-3-11/h9,11,13-14H,2-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine is sourced from PubChem (CID 55251960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).