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

C10H18N2O2S — CID 106380747

IUPAC4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-8(2)6-14-4-3-11-5-9-7-15-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHKCOMZXQUWEMRM-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.20
Rot. Bonds7

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

4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380747) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380747
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)COCCNCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2O2S/c1-8(2)6-14-4-3-11-5-9-7-15-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyHKCOMZXQUWEMRM-UHFFFAOYSA-N
XLogP1.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.20
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-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106380747) is 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is CC(C)COCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HKCOMZXQUWEMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-8(2)6-14-4-3-11-5-9-7-15-10(13)12-9/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 230.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).