2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C16H13N3O2S — CID 174783755

IUPAC2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)10-14(21)17-16-19-18-15(22-16)11-6-2-1-3-7-11/h1-9,20H,10H2,(H,17,19,21)
InChIKeyABUNOWKVGITVJI-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 174783755) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID174783755
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)10-14(21)17-16-19-18-15(22-16)11-6-2-1-3-7-11/h1-9,20H,10H2,(H,17,19,21)
InChIKeyABUNOWKVGITVJI-UHFFFAOYSA-N
XLogP3.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35567569
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
3-(dimethylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 19256762
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 19256575
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 55438240
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38928151
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 174783755) is 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1ccccc1O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ABUNOWKVGITVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-13-9-5-4-8-12(13)10-14(21)17-16-19-18-15(22-16)11-6-2-1-3-7-11/h1-9,20H,10H2,(H,17,19,21).
What are the key properties of 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 311.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 174783755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).