N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine

C10H15ClN2OS — CID 104879629

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine
SMILESClc1cnc(CNCCC2CCOC2)s1
InChIInChI=1S/C10H15ClN2OS/c11-9-5-13-10(15-9)6-12-3-1-8-2-4-14-7-8/h5,8,12H,1-4,6-7H2
InChIKeyHPSFFVACRUTZLI-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.31
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine (PubChem CID 104879629) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine
PubChem CID104879629
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine
SMILESClc1cnc(CNCCC2CCOC2)s1
InChIInChI=1S/C10H15ClN2OS/c11-9-5-13-10(15-9)6-12-3-1-8-2-4-14-7-8/h5,8,12H,1-4,6-7H2
InChIKeyHPSFFVACRUTZLI-UHFFFAOYSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine 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-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine (CID 104879629) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine is Clc1cnc(CNCCC2CCOC2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The InChIKey is HPSFFVACRUTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c11-9-5-13-10(15-9)6-12-3-1-8-2-4-14-7-8/h5,8,12H,1-4,6-7H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine has a molecular weight of 246.76 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104879629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).