2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

C16H14N4OS2 — CID 673892

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-14(21)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)(H,18,21)
InChIKeyRMOJNUAMWZHFGI-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.52
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 673892) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID673892
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-14(21)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)(H,18,21)
InChIKeyRMOJNUAMWZHFGI-UHFFFAOYSA-N
XLogP3.52
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 2162574
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 4879084
5-{[2-oxo-2-(2,2,4,6,8-pentamethyl-1(2H)-quinolinyl)ethyl]thio}-1,3,4-thiadiazol-2-amine
CID 1260099
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 2081219
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 845793
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1289394
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)butanamide
CID 2080898
N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2086004
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 2398938
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2581900

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (CID 673892) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is RMOJNUAMWZHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c17-15-19-20-16(23-15)22-10-14(21)18-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)(H,18,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 673892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).