ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine

C10H21N3O2S — CID 172580384

IUPACethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine
SMILESCC.CNc1nccs1.CON(C)C(C)=O
InChIInChI=1S/C4H6N2S.C4H9NO2.C2H6/c1-5-4-6-2-3-7-4;1-4(6)5(2)7-3;1-2/h2-3H,1H3,(H,5,6);1-3H3;1-2H3
InChIKeyURMLGEVLCUMZLU-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.24
Rot. Bonds2

About ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine

ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine (PubChem CID 172580384) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine
PubChem CID172580384
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Nameethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine
SMILESCC.CNc1nccs1.CON(C)C(C)=O
InChIInChI=1S/C4H6N2S.C4H9NO2.C2H6/c1-5-4-6-2-3-7-4;1-4(6)5(2)7-3;1-2/h2-3H,1H3,(H,5,6);1-3H3;1-2H3
InChIKeyURMLGEVLCUMZLU-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine?
The IUPAC name of ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine (CID 172580384) is ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine is CC.CNc1nccs1.CON(C)C(C)=O.
What is the InChIKey of ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine?
The InChIKey is URMLGEVLCUMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C4H9NO2.C2H6/c1-5-4-6-2-3-7-4;1-4(6)5(2)7-3;1-2/h2-3H,1H3,(H,5,6);1-3H3;1-2H3.
What are the key properties of ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine?
ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine has a molecular weight of 247.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N-methylacetamide;N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 172580384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).