2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine

C8H14N2OS — CID 62759622

IUPAC2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCCOCCNCc1cncs1
InChIInChI=1S/C8H14N2OS/c1-2-11-4-3-9-5-8-6-10-7-12-8/h6-7,9H,2-5H2,1H3
InChIKeyWWTJKNIYDAJZDP-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.27
Rot. Bonds6

About 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine

2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 62759622) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID62759622
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESCCOCCNCc1cncs1
InChIInChI=1S/C8H14N2OS/c1-2-11-4-3-9-5-8-6-10-7-12-8/h6-7,9H,2-5H2,1H3
InChIKeyWWTJKNIYDAJZDP-UHFFFAOYSA-N
XLogP1.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.27
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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Related Compounds

N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
3-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 62758491
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
3-bromo-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 112644435
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
2-phenylsulfanyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759077
N'-ethyl-N'-propyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 115732705
5-(propoxymethyl)-1,3-thiazole
CID 178117265
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
2-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106372226
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 62759622) is 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine is CCOCCNCc1cncs1.
What is the InChIKey of 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is WWTJKNIYDAJZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-11-4-3-9-5-8-6-10-7-12-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine?
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 186.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 62759622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).