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

C8H14N2O3S — CID 106380915

IUPAC4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOCCO)cs1
InChIInChI=1S/C8H14N2O3S/c11-2-4-13-3-1-9-5-7-6-14-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyPBGXNHNXXBJYHF-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.47
Rot. Bonds7

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

4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380915) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380915
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCOCCO)cs1
InChIInChI=1S/C8H14N2O3S/c11-2-4-13-3-1-9-5-7-6-14-8(12)10-7/h6,9,11H,1-5H2,(H,10,12)
InChIKeyPBGXNHNXXBJYHF-UHFFFAOYSA-N
XLogP-0.47
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380915) is 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCOCCO)cs1.
What is the InChIKey of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PBGXNHNXXBJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c11-2-4-13-3-1-9-5-7-6-14-8(12)10-7/h6,9,11H,1-5H2,(H,10,12).
What are the key properties of 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 218.28 g/mol, XLogP of -0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).