N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C7H10N2O2S — CID 60716850

IUPACN-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCONC(=O)Cc1csc(C)n1
InChIInChI=1S/C7H10N2O2S/c1-5-8-6(4-12-5)3-7(10)9-11-2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyCHCUADLCDHVQIT-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.67
Rot. Bonds3

About N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 60716850) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID60716850
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC NameN-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCONC(=O)Cc1csc(C)n1
InChIInChI=1S/C7H10N2O2S/c1-5-8-6(4-12-5)3-7(10)9-11-2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyCHCUADLCDHVQIT-UHFFFAOYSA-N
XLogP0.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 60716850) is N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CONC(=O)Cc1csc(C)n1.
What is the InChIKey of N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CHCUADLCDHVQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-8-6(4-12-5)3-7(10)9-11-2/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 186.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 60716850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).