2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

C10H14N2O2S — CID 110374660

IUPAC2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(COC)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-11-9(13)5-8-7-15-10(12-8)6-14-2/h3,7H,1,4-6H2,2H3,(H,11,13)
InChIKeyJSCPJYKKRBGZBX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.13
Rot. Bonds6

About 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (PubChem CID 110374660) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
PubChem CID110374660
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cc1csc(COC)n1
InChIInChI=1S/C10H14N2O2S/c1-3-4-11-9(13)5-8-7-15-10(12-8)6-14-2/h3,7H,1,4-6H2,2H3,(H,11,13)
InChIKeyJSCPJYKKRBGZBX-UHFFFAOYSA-N
XLogP1.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110389752
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327942
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286
N-(3-cyanophenyl)-2-[2-(methoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110374780
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 16900397
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide (CID 110374660) is 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cc1csc(COC)n1.
What is the InChIKey of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
The InChIKey is JSCPJYKKRBGZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-4-11-9(13)5-8-7-15-10(12-8)6-14-2/h3,7H,1,4-6H2,2H3,(H,11,13).
What are the key properties of 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide?
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide has a molecular weight of 226.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 110374660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).