2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid

C13H12N2O3S — CID 6624828

IUPAC2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc3nc(N(C)C)sc3c12
InChIInChI=1S/C13H12N2O3S/c1-6-9-8(18-10(6)12(16)17)5-4-7-11(9)19-13(14-7)15(2)3/h4-5H,1-3H3,(H,16,17)
InChIKeyBIGQRSRCISMVCC-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.12
Rot. Bonds2

About 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid

2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid (PubChem CID 6624828) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid
PubChem CID6624828
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid
SMILESCc1c(C(=O)O)oc2ccc3nc(N(C)C)sc3c12
InChIInChI=1S/C13H12N2O3S/c1-6-9-8(18-10(6)12(16)17)5-4-7-11(9)19-13(14-7)15(2)3/h4-5H,1-3H3,(H,16,17)
InChIKeyBIGQRSRCISMVCC-UHFFFAOYSA-N
XLogP3.12
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid (CID 6624828) is 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid is Cc1c(C(=O)O)oc2ccc3nc(N(C)C)sc3c12.
What is the InChIKey of 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid?
The InChIKey is BIGQRSRCISMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-6-9-8(18-10(6)12(16)17)5-4-7-11(9)19-13(14-7)15(2)3/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid?
2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methylfuro[2,3-g][1,3]benzothiazole-7-carboxylic acid is sourced from PubChem (CID 6624828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).