methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate

C12H14N2O4S — CID 71778892

IUPACmethyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate
SMILES[H]/N=c1\sc2cc(OC)c(OC)cc2n1CC(=O)OC
InChIInChI=1S/C12H14N2O4S/c1-16-8-4-7-10(5-9(8)17-2)19-12(13)14(7)6-11(15)18-3/h4-5,13H,6H2,1-3H3/b13-12-
InChIKeyYSGSWAFXSQTSDR-SEYXRHQNSA-N
MW282.32 g/mol
LogP1.37
Rot. Bonds4

About methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate

methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate (PubChem CID 71778892) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate
PubChem CID71778892
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Namemethyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate
SMILES[H]/N=c1\sc2cc(OC)c(OC)cc2n1CC(=O)OC
InChIInChI=1S/C12H14N2O4S/c1-16-8-4-7-10(5-9(8)17-2)19-12(13)14(7)6-11(15)18-3/h4-5,13H,6H2,1-3H3/b13-12-
InChIKeyYSGSWAFXSQTSDR-SEYXRHQNSA-N
XLogP1.37
TPSA73.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-imino-6-methyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
CID 71778886
5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-imine
CID 71778916
methyl 2-[2-(furan-2-carbonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 40508896
methyl 2-[5,6-dimethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40509024
methyl 2-[5,6-dimethoxy-2-[2-(2-methoxyphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43979487
methyl 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 16937113
methyl 2-[2-(2-fluorobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 40508978
methyl 2-[5,6-dimethoxy-2-[2-(1,2,4-triazol-1-yl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43979644
methyl 2-[2-(3-ethylsulfonylbenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 41005130
methyl 2-[5,6-dimethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 41092381
methyl 2-[5,6-dimethoxy-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40951843
methyl 2-[5,6-dimethoxy-2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate
CID 41087435

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate?
The IUPAC name of methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate (CID 71778892) is methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate is [H]/N=c1\sc2cc(OC)c(OC)cc2n1CC(=O)OC.
What is the InChIKey of methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate?
The InChIKey is YSGSWAFXSQTSDR-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-16-8-4-7-10(5-9(8)17-2)19-12(13)14(7)6-11(15)18-3/h4-5,13H,6H2,1-3H3/b13-12-.
What are the key properties of methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate?
methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate has a molecular weight of 282.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate is sourced from PubChem (CID 71778892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).