[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate

C8H12N2O4S — CID 174539726

IUPAC[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
SMILESCOC(OC)(OC(C)=O)c1csc(N)n1
InChIInChI=1S/C8H12N2O4S/c1-5(11)14-8(12-2,13-3)6-4-15-7(9)10-6/h4H,1-3H3,(H2,9,10)
InChIKeyJAQPSZOTIAZLMP-UHFFFAOYSA-N
MW232.26 g/mol
LogP0.69
Rot. Bonds4

About [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate

[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate (PubChem CID 174539726) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate.

Molecular Properties

Compound Name[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
PubChem CID174539726
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate
SMILESCOC(OC)(OC(C)=O)c1csc(N)n1
InChIInChI=1S/C8H12N2O4S/c1-5(11)14-8(12-2,13-3)6-4-15-7(9)10-6/h4H,1-3H3,(H2,9,10)
InChIKeyJAQPSZOTIAZLMP-UHFFFAOYSA-N
XLogP0.69
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-3-ethoxybutan-2-one
CID 174520084
ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-ethylbutanoate
CID 138673569
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
methyl 2-(2-amino-1,3-thiazol-4-yl)-2-(4-chlorophenyl)propanoate
CID 169221923
[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 153327398
1-(2-amino-1,3-thiazol-4-yl)-1-methoxyiminopropan-2-one
CID 74007850
1-O-ethyl 5-O-methyl (2S)-2-(2-amino-1,3-thiazol-4-yl)-2-propylpentanedioate
CID 2055170
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
[[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino] acetate
CID 56631169
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301

Frequently Asked Questions

What is the IUPAC name of [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate?
The IUPAC name of [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate (CID 174539726) is [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate.
What is the SMILES notation for [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate?
The canonical SMILES for [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate is COC(OC)(OC(C)=O)c1csc(N)n1.
What is the InChIKey of [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate?
The InChIKey is JAQPSZOTIAZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-5(11)14-8(12-2,13-3)6-4-15-7(9)10-6/h4H,1-3H3,(H2,9,10).
What are the key properties of [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate?
[(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate has a molecular weight of 232.26 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-1,3-thiazol-4-yl)-dimethoxymethyl] acetate is sourced from PubChem (CID 174539726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).