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

C10H18N2O3S — CID 106380766

IUPAC4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O3S/c1-14-4-2-5-15-6-3-11-7-9-8-16-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyZWEJMUOPLQKIJA-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.58
Rot. Bonds9

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

4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380766) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380766
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCOCCCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O3S/c1-14-4-2-5-15-6-3-11-7-9-8-16-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13)
InChIKeyZWEJMUOPLQKIJA-UHFFFAOYSA-N
XLogP0.58
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380766) is 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is COCCCOCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZWEJMUOPLQKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-14-4-2-5-15-6-3-11-7-9-8-16-10(13)12-9/h8,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 246.33 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).