2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid

C10H10N2O4S2 — CID 3239623

IUPAC2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)O)cc2s1
InChIInChI=1S/C10H10N2O4S2/c1-6-12-8-3-2-7(4-9(8)17-6)18(15,16)11-5-10(13)14/h2-4,11H,5H2,1H3,(H,13,14)
InChIKeyFMCCODZUYILWBV-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.97
Rot. Bonds4

About 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid

2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid (PubChem CID 3239623) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid
PubChem CID3239623
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Name2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid
SMILESCc1nc2ccc(S(=O)(=O)NCC(=O)O)cc2s1
InChIInChI=1S/C10H10N2O4S2/c1-6-12-8-3-2-7(4-9(8)17-6)18(15,16)11-5-10(13)14/h2-4,11H,5H2,1H3,(H,13,14)
InChIKeyFMCCODZUYILWBV-UHFFFAOYSA-N
XLogP0.97
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid (CID 3239623) is 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid is Cc1nc2ccc(S(=O)(=O)NCC(=O)O)cc2s1.
What is the InChIKey of 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid?
The InChIKey is FMCCODZUYILWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c1-6-12-8-3-2-7(4-9(8)17-6)18(15,16)11-5-10(13)14/h2-4,11H,5H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid?
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 3239623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).