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

C10H18N2O3S — CID 106380755

IUPAC4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCOC(CNCc1csc(=O)[nH]1)OCC
InChIInChI=1S/C10H18N2O3S/c1-3-14-9(15-4-2)6-11-5-8-7-16-10(13)12-8/h7,9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKJYGXMDQBZTECG-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.93
Rot. Bonds8

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

4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380755) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380755
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCOC(CNCc1csc(=O)[nH]1)OCC
InChIInChI=1S/C10H18N2O3S/c1-3-14-9(15-4-2)6-11-5-8-7-16-10(13)12-8/h7,9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyKJYGXMDQBZTECG-UHFFFAOYSA-N
XLogP0.93
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380755) is 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one is CCOC(CNCc1csc(=O)[nH]1)OCC.
What is the InChIKey of 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KJYGXMDQBZTECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-14-9(15-4-2)6-11-5-8-7-16-10(13)12-8/h7,9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 246.33 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).