N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide

C17H15N3O2S2 — CID 19219427

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
SMILESCSc1nnc(NC(=O)COc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S2/c1-23-17-20-19-16(24-17)18-15(21)11-22-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,19,21)
InChIKeyUJSSJPTZKXPEGW-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.94
Rot. Bonds6

About N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide (PubChem CID 19219427) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
PubChem CID19219427
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
SMILESCSc1nnc(NC(=O)COc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S2/c1-23-17-20-19-16(24-17)18-15(21)11-22-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,19,21)
InChIKeyUJSSJPTZKXPEGW-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 1407175
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334
ethyl 2-[[5-[3-(2-phenylphenoxy)propanoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55623388
4-(2-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218704
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
2-(2-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19217708
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19219897
2-(2-methoxyphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 8697651
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7948603
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 7948013
2-(2-propan-2-ylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19218388
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide (CID 19219427) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide is CSc1nnc(NC(=O)COc2ccccc2-c2ccccc2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is UJSSJPTZKXPEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-23-17-20-19-16(24-17)18-15(21)11-22-14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,19,21).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 19219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).