methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate

C10H10N2O2S — CID 59519154

IUPACmethyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2sc(N)nc2c1
InChIInChI=1S/C10H10N2O2S/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyKIDKPTBWHOQQMK-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate

methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate (PubChem CID 59519154) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
PubChem CID59519154
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2sc(N)nc2c1
InChIInChI=1S/C10H10N2O2S/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3,(H2,11,12)
InChIKeyKIDKPTBWHOQQMK-UHFFFAOYSA-N
XLogP1.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-amino-1,3-benzothiazol-5-yl)-2,3-dihydroxypropanoate
CID 171864257
5-(2-bromoethyl)-1,3-benzothiazol-2-amine
CID 54519949
methyl 5-(aminomethyl)-1,3-benzothiazole-2-carboxylate
CID 84788633
methyl 2-(2-chloro-1,3-benzoxazol-5-yl)acetate
CID 66912251
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
methyl 2,6-diamino-1,3-benzothiazole-5-carboxylate
CID 84725218
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
ethyl 3-(2-amino-1,3-benzothiazol-5-yl)-2,3-dihydroxypropanoate
CID 171866300
5-(2-methoxy-2-oxoethyl)-1,3-benzoxazole-2-carboxylic acid
CID 77231209

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate (CID 59519154) is methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate is COC(=O)Cc1ccc2sc(N)nc2c1.
What is the InChIKey of methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate?
The InChIKey is KIDKPTBWHOQQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-9(13)5-6-2-3-8-7(4-6)12-10(11)15-8/h2-4H,5H2,1H3,(H2,11,12).
What are the key properties of methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate?
methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate has a molecular weight of 222.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-benzothiazol-5-yl)acetate is sourced from PubChem (CID 59519154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).