2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid

C10H10N2O5S — CID 91395642

IUPAC2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1C=C(O)NS1(=O)=O
InChIInChI=1S/C10H10N2O5S/c13-8-6-12(18(16,17)11-8)9(10(14)15)7-4-2-1-3-5-7/h1-6,9,11,13H,(H,14,15)
InChIKeyHVGGJTHZKVVQEC-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.32
Rot. Bonds3

About 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid

2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid (PubChem CID 91395642) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid
PubChem CID91395642
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1C=C(O)NS1(=O)=O
InChIInChI=1S/C10H10N2O5S/c13-8-6-12(18(16,17)11-8)9(10(14)15)7-4-2-1-3-5-7/h1-6,9,11,13H,(H,14,15)
InChIKeyHVGGJTHZKVVQEC-UHFFFAOYSA-N
XLogP0.32
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-(1,1,4-trihydroxy-1,2,5-thiadiazolidin-2-yl)acetic acid
CID 174485337
2-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid
CID 10663280
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-phenylacetic acid
CID 24688909
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-phenylpropanedioic acid;dihydrochloride
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2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(5-azaspiro[2.3]hexan-5-yl)-2-phenylacetic acid
CID 79687237
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
calcium;hydride;2-phenylpropanedioic acid
CID 174516330
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
2-(2,3-dihydropyrrol-1-yl)-2-phenylacetic acid
CID 67904811
(2S)-2-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)-2-phenylacetic acid
CID 91691043

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid?
The IUPAC name of 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid (CID 91395642) is 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1C=C(O)NS1(=O)=O.
What is the InChIKey of 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid?
The InChIKey is HVGGJTHZKVVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c13-8-6-12(18(16,17)11-8)9(10(14)15)7-4-2-1-3-5-7/h1-6,9,11,13H,(H,14,15).
What are the key properties of 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid?
2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid has a molecular weight of 270.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-2-phenylacetic acid is sourced from PubChem (CID 91395642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).