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

C7H12N2O2S — CID 103113155

IUPAC4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-11-3-2-8-4-6-5-12-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyDNNHCSUGESJBEG-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.17
Rot. Bonds5

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

4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 103113155) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID103113155
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCOCCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H12N2O2S/c1-11-3-2-8-4-6-5-12-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyDNNHCSUGESJBEG-UHFFFAOYSA-N
XLogP0.17
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.17
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-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one (CID 103113155) is 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one is COCCNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DNNHCSUGESJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-11-3-2-8-4-6-5-12-7(10)9-6/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).