2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid

C10H8N2O2S — CID 22492184

IUPAC2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H8N2O2S/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyOCKTUFNDRKUHQG-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid

2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid (PubChem CID 22492184) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid
PubChem CID22492184
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H8N2O2S/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyOCKTUFNDRKUHQG-UHFFFAOYSA-N
XLogP1.83
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 161305549
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
CID 68852154
2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 47091854
3-phenyl-1,2,4-thiadiazole-5-carbonitrile
CID 15394762
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
3-[4-(bromomethyl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 18731899

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid (CID 22492184) is 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid is O=C(O)Cc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid?
The InChIKey is OCKTUFNDRKUHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(14)6-8-11-10(12-15-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid?
2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid has a molecular weight of 220.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid is sourced from PubChem (CID 22492184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).