ethyl 2-amino-1,3-benzothiazole-4-carboxylate

C10H10N2O2S — CID 19894837

IUPACethyl 2-amino-1,3-benzothiazole-4-carboxylate
SMILESCCOC(=O)c1cccc2sc(N)nc12
InChIInChI=1S/C10H10N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyLCUYJVNHTWTGJJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.06
Rot. Bonds2

About ethyl 2-amino-1,3-benzothiazole-4-carboxylate

ethyl 2-amino-1,3-benzothiazole-4-carboxylate (PubChem CID 19894837) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is ethyl 2-amino-1,3-benzothiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1,3-benzothiazole-4-carboxylate
PubChem CID19894837
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Nameethyl 2-amino-1,3-benzothiazole-4-carboxylate
SMILESCCOC(=O)c1cccc2sc(N)nc12
InChIInChI=1S/C10H10N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyLCUYJVNHTWTGJJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethyl 2-methyl-1,3-benzothiazole-7-carboxylate
CID 135397113
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
ethyl 2-tert-butyl-1H-benzimidazole-4-carboxylate
CID 83422569
ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
(2-amino-7-ethoxycarbonyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid
CID 22280362
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
ethyl 3-amino-2-fluorobenzoate
CID 46311258
ethyl 2-(chloromethyl)-1,3-benzoxazole-4-carboxylate
CID 131291047
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
methyl 2-(carbamothioylamino)-1,3-benzothiazole-4-carboxylate
CID 30032355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1,3-benzothiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-1,3-benzothiazole-4-carboxylate (CID 19894837) is ethyl 2-amino-1,3-benzothiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-1,3-benzothiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-1,3-benzothiazole-4-carboxylate is CCOC(=O)c1cccc2sc(N)nc12.
What is the InChIKey of ethyl 2-amino-1,3-benzothiazole-4-carboxylate?
The InChIKey is LCUYJVNHTWTGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-amino-1,3-benzothiazole-4-carboxylate?
ethyl 2-amino-1,3-benzothiazole-4-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1,3-benzothiazole-4-carboxylate is sourced from PubChem (CID 19894837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).