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

C10H19N3OS — CID 106380834

IUPAC4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCN(CC)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-13(4-2)6-5-11-7-9-8-15-10(14)12-9/h8,11H,3-7H2,1-2H3,(H,12,14)
InChIKeyOPLDGYILCITQGJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.87
Rot. Bonds7

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

4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380834) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380834
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCN(CC)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H19N3OS/c1-3-13(4-2)6-5-11-7-9-8-15-10(14)12-9/h8,11H,3-7H2,1-2H3,(H,12,14)
InChIKeyOPLDGYILCITQGJ-UHFFFAOYSA-N
XLogP0.87
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380834) is 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is CCN(CC)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OPLDGYILCITQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-13(4-2)6-5-11-7-9-8-15-10(14)12-9/h8,11H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 229.35 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).