2-(1,3-benzothiazol-2-ylmethoxy)acetic acid

C10H9NO3S — CID 2049789

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1nc2ccccc2s1
InChIInChI=1S/C10H9NO3S/c12-10(13)6-14-5-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6H2,(H,12,13)
InChIKeyRQFMQUWXKKGYMC-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.90
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid

2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (PubChem CID 2049789) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)acetic acid
PubChem CID2049789
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)acetic acid
SMILESO=C(O)COCc1nc2ccccc2s1
InChIInChI=1S/C10H9NO3S/c12-10(13)6-14-5-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6H2,(H,12,13)
InChIKeyRQFMQUWXKKGYMC-UHFFFAOYSA-N
XLogP1.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (CID 2049789) is 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid is O=C(O)COCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid?
The InChIKey is RQFMQUWXKKGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-10(13)6-14-5-9-11-7-3-1-2-4-8(7)15-9/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid?
2-(1,3-benzothiazol-2-ylmethoxy)acetic acid has a molecular weight of 223.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid is sourced from PubChem (CID 2049789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).