2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid

C9H9NO2S — CID 154116351

IUPAC2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
SMILESO=C(O)CC1Nc2ccccc2S1
InChIInChI=1S/C9H9NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4,8,10H,5H2,(H,11,12)
InChIKeyJINZMWJGUYFKFB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.01
Rot. Bonds2

About 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid

2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid (PubChem CID 154116351) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
PubChem CID154116351
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
SMILESO=C(O)CC1Nc2ccccc2S1
InChIInChI=1S/C9H9NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4,8,10H,5H2,(H,11,12)
InChIKeyJINZMWJGUYFKFB-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
CID 142049429
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
(2S,3S)-3-(carboxymethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 11666053
ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
2-(3-hydroxy-1,2-dihydrobenzimidazol-2-yl)acetic acid
CID 70534132
(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
CID 102081822
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid (CID 154116351) is 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid is O=C(O)CC1Nc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid?
The InChIKey is JINZMWJGUYFKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4,8,10H,5H2,(H,11,12).
What are the key properties of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid?
2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid has a molecular weight of 195.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid is sourced from PubChem (CID 154116351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).