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

C7H11ClN2OS — CID 66224108

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3
InChIKeyRRWMGAIBGQEVEL-UHFFFAOYSA-N
MW206.70 g/mol
LogP1.53
Rot. Bonds5

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 66224108) has the molecular formula C7H11ClN2OS and a molecular weight of 206.70 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID66224108
Molecular FormulaC7H11ClN2OS
Molecular Weight206.70 g/mol
Exact Mass206.03
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ncc(Cl)s1
InChIInChI=1S/C7H11ClN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3
InChIKeyRRWMGAIBGQEVEL-UHFFFAOYSA-N
XLogP1.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.70
LogP ≤ 51.53
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-methoxyethanamine 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-methoxyethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 66224108) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is RRWMGAIBGQEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2OS/c1-11-3-2-9-5-7-10-4-6(8)12-7/h4,9H,2-3,5H2,1H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 206.70 g/mol, XLogP of 1.53, 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-methoxyethanamine is sourced from PubChem (CID 66224108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).