4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

C8H15N3O2S — CID 106381718

IUPAC4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O2S/c9-1-3-13-4-2-10-5-7-6-14-8(12)11-7/h6,10H,1-5,9H2,(H,11,12)
InChIKeyGWFJSTYPWGFVHZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.50
Rot. Bonds7

About 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381718) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381718
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESNCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C8H15N3O2S/c9-1-3-13-4-2-10-5-7-6-14-8(12)11-7/h6,10H,1-5,9H2,(H,11,12)
InChIKeyGWFJSTYPWGFVHZ-UHFFFAOYSA-N
XLogP-0.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380970
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethanesulfonamide
CID 106380607
4-[[4-(2-aminoethyl)heptylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181544
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381713
4-[(2-tert-butylsulfonylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381142
4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 75494244
4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
CID 71756373
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832
4-[[3-(4-aminophenyl)butylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381770
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
2,2-dimethyl-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanenitrile
CID 106381121
2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381718) is 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is NCCOCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GWFJSTYPWGFVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-1-3-13-4-2-10-5-7-6-14-8(12)11-7/h6,10H,1-5,9H2,(H,11,12).
What are the key properties of 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 217.29 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).