4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine

C10H19N3OS — CID 63697554

IUPAC4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(CC)Cc1csc(N)n1
InChIInChI=1S/C10H19N3OS/c1-3-13(5-6-14-4-2)7-9-8-15-10(11)12-9/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLOKFXSONTXYOIY-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.58
Rot. Bonds7

About 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine

4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 63697554) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID63697554
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCOCCN(CC)Cc1csc(N)n1
InChIInChI=1S/C10H19N3OS/c1-3-13(5-6-14-4-2)7-9-8-15-10(11)12-9/h8H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLOKFXSONTXYOIY-UHFFFAOYSA-N
XLogP1.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242
4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
4-[(dimethylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 134590624
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63690502
4-[[2-ethoxyethyl(ethyl)amino]methyl]thiadiazol-5-amine
CID 63692487
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
2-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55227296

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine (CID 63697554) is 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine is CCOCCN(CC)Cc1csc(N)n1.
What is the InChIKey of 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is LOKFXSONTXYOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-13(5-6-14-4-2)7-9-8-15-10(11)12-9/h8H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine?
4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 229.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(ethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63697554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).