N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine

C10H11ClN2OS — CID 63831322

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESClc1ccc(CNCCc2cscn2)o1
InChIInChI=1S/C10H11ClN2OS/c11-10-2-1-9(14-10)5-12-4-3-8-6-15-7-13-8/h1-2,6-7,12H,3-5H2
InChIKeyPQDTUJSHOIQZTF-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.72
Rot. Bonds5

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

N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63831322) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63831322
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESClc1ccc(CNCCc2cscn2)o1
InChIInChI=1S/C10H11ClN2OS/c11-10-2-1-9(14-10)5-12-4-3-8-6-15-7-13-8/h1-2,6-7,12H,3-5H2
InChIKeyPQDTUJSHOIQZTF-UHFFFAOYSA-N
XLogP2.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63831322) is N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is Clc1ccc(CNCCc2cscn2)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is PQDTUJSHOIQZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c11-10-2-1-9(14-10)5-12-4-3-8-6-15-7-13-8/h1-2,6-7,12H,3-5H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 242.73 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63831322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).