N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide

C12H11N3O3S2 — CID 17411757

IUPACN-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CSc2nncs2)ccc1O
InChIInChI=1S/C12H11N3O3S2/c1-7(16)14-9-4-8(2-3-10(9)17)11(18)5-19-12-15-13-6-20-12/h2-4,6,17H,5H2,1H3,(H,14,16)
InChIKeyLUFAPLXZEIWAHU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.18
Rot. Bonds5

About N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide

N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide (PubChem CID 17411757) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
PubChem CID17411757
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC NameN-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CSc2nncs2)ccc1O
InChIInChI=1S/C12H11N3O3S2/c1-7(16)14-9-4-8(2-3-10(9)17)11(18)5-19-12-15-13-6-20-12/h2-4,6,17H,5H2,1H3,(H,14,16)
InChIKeyLUFAPLXZEIWAHU-UHFFFAOYSA-N
XLogP2.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413969
N-[5-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9473869
1-(4-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43413959
1-(4-tert-butylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 52890591
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523
1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
CID 8936118
N-[5-[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-hydroxyphenyl]acetamide
CID 9381597
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
CID 33295230
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
N,N-dimethyl-4-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]benzamide
CID 2532520
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide (CID 17411757) is N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide is CC(=O)Nc1cc(C(=O)CSc2nncs2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide?
The InChIKey is LUFAPLXZEIWAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-7(16)14-9-4-8(2-3-10(9)17)11(18)5-19-12-15-13-6-20-12/h2-4,6,17H,5H2,1H3,(H,14,16).
What are the key properties of N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide?
N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide is sourced from PubChem (CID 17411757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).