ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide

C10H11BrN2O2S — CID 86593371

IUPACethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1cccc2nc(N)sc12
InChIInChI=1S/C10H10N2O2S.BrH/c1-2-14-9(13)6-4-3-5-7-8(6)15-10(11)12-7;/h3-5H,2H2,1H3,(H2,11,12);1H
InChIKeyBRKJFPDYFVSFOY-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.63
Rot. Bonds2

About ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide

ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide (PubChem CID 86593371) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide
PubChem CID86593371
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Nameethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1cccc2nc(N)sc12
InChIInChI=1S/C10H10N2O2S.BrH/c1-2-14-9(13)6-4-3-5-7-8(6)15-10(11)12-7;/h3-5H,2H2,1H3,(H2,11,12);1H
InChIKeyBRKJFPDYFVSFOY-UHFFFAOYSA-N
XLogP2.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide?
The IUPAC name of ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide (CID 86593371) is ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide?
The canonical SMILES for ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide is Br.CCOC(=O)c1cccc2nc(N)sc12.
What is the InChIKey of ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide?
The InChIKey is BRKJFPDYFVSFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S.BrH/c1-2-14-9(13)6-4-3-5-7-8(6)15-10(11)12-7;/h3-5H,2H2,1H3,(H2,11,12);1H.
What are the key properties of ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide?
ethyl 2-amino-1,3-benzothiazole-7-carboxylate;hydrobromide has a molecular weight of 303.18 g/mol, XLogP of 2.63, 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-7-carboxylate;hydrobromide is sourced from PubChem (CID 86593371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).