3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid

C11H10N2O2S — CID 83841475

IUPAC3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid
SMILESO=C(O)c1ccc2snc(NC3CC3)c2c1
InChIInChI=1S/C11H10N2O2S/c14-11(15)6-1-4-9-8(5-6)10(13-16-9)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15)
InChIKeyJCARPCYPABPKIV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.57
Rot. Bonds3

About 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid

3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid (PubChem CID 83841475) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid
PubChem CID83841475
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid
SMILESO=C(O)c1ccc2snc(NC3CC3)c2c1
InChIInChI=1S/C11H10N2O2S/c14-11(15)6-1-4-9-8(5-6)10(13-16-9)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15)
InChIKeyJCARPCYPABPKIV-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid?
The IUPAC name of 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid (CID 83841475) is 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid is O=C(O)c1ccc2snc(NC3CC3)c2c1.
What is the InChIKey of 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid?
The InChIKey is JCARPCYPABPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(15)6-1-4-9-8(5-6)10(13-16-9)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid?
3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1,2-benzothiazole-5-carboxylic acid is sourced from PubChem (CID 83841475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).