3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H20N2O3S — CID 113317701

IUPAC3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCOCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H20N2O3S/c1-8-9(2)17-11(15)13(8)7-10(14)6-12-4-5-16-3/h10,12,14H,4-7H2,1-3H3
InChIKeySUZGCZQIEHUCPF-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.12
Rot. Bonds7

About 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 113317701) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID113317701
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCOCCNCC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H20N2O3S/c1-8-9(2)17-11(15)13(8)7-10(14)6-12-4-5-16-3/h10,12,14H,4-7H2,1-3H3
InChIKeySUZGCZQIEHUCPF-UHFFFAOYSA-N
XLogP0.12
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 113317701) is 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is COCCNCC(O)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is SUZGCZQIEHUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8-9(2)17-11(15)13(8)7-10(14)6-12-4-5-16-3/h10,12,14H,4-7H2,1-3H3.
What are the key properties of 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(2-methoxyethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 113317701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).