2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine

C8H15N3OS — CID 79478623

IUPAC2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
SMILESNCCOCCNCc1cscn1
InChIInChI=1S/C8H15N3OS/c9-1-3-12-4-2-10-5-8-6-13-7-11-8/h6-7,10H,1-5,9H2
InChIKeyTUDSLAZZRIRBOP-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.21
Rot. Bonds7

About 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine

2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine (PubChem CID 79478623) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
PubChem CID79478623
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
SMILESNCCOCCNCc1cscn1
InChIInChI=1S/C8H15N3OS/c9-1-3-12-4-2-10-5-8-6-13-7-11-8/h6-7,10H,1-5,9H2
InChIKeyTUDSLAZZRIRBOP-UHFFFAOYSA-N
XLogP0.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
CID 115616332
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63902488
2-[2-(1,3-thiazol-4-ylmethylamino)ethyl]guanidine
CID 20567703
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385881
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine?
The IUPAC name of 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine (CID 79478623) is 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine is NCCOCCNCc1cscn1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine?
The InChIKey is TUDSLAZZRIRBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c9-1-3-12-4-2-10-5-8-6-13-7-11-8/h6-7,10H,1-5,9H2.
What are the key properties of 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine?
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine has a molecular weight of 201.29 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine is sourced from PubChem (CID 79478623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).