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

C8H14N2O3S — CID 106379763

IUPAC4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOC(CNCc1csc(=O)[nH]1)OC
InChIInChI=1S/C8H14N2O3S/c1-12-7(13-2)4-9-3-6-5-14-8(11)10-6/h5,7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZWJRYTLZYIIGLH-UHFFFAOYSA-N
MW218.28 g/mol
LogP0.14
Rot. Bonds6

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

4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379763) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379763
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOC(CNCc1csc(=O)[nH]1)OC
InChIInChI=1S/C8H14N2O3S/c1-12-7(13-2)4-9-3-6-5-14-8(11)10-6/h5,7,9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZWJRYTLZYIIGLH-UHFFFAOYSA-N
XLogP0.14
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 50.14
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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Related Compounds

4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 103113155
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[(1-methoxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379700
4-[(1-methoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380176
4-[(1,1-dimethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380479
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380549
4-[[2-(2-methylpropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380747
4-[(2,2-diethoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380755
4-[[2-(3-methoxypropoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380766
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetate
CID 106380900
4-[(2-butoxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380910
4-[(2-propan-2-yloxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380913

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379763) is 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one is COC(CNCc1csc(=O)[nH]1)OC.
What is the InChIKey of 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ZWJRYTLZYIIGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-12-7(13-2)4-9-3-6-5-14-8(11)10-6/h5,7,9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 218.28 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethoxyethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).