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

C10H9FN4OS2 — CID 673895

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4OS2/c11-6-1-3-7(4-2-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16)
InChIKeyGQTAEOVGIVHVTJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.99
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 673895) has the molecular formula C10H9FN4OS2 and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID673895
Molecular FormulaC10H9FN4OS2
Molecular Weight284.34 g/mol
Exact Mass284.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C10H9FN4OS2/c11-6-1-3-7(4-2-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16)
InChIKeyGQTAEOVGIVHVTJ-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11047521
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 2162574
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155545564
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 839075
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1860187
N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 670655
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-acetamide
CID 1937572
1-(4-Fluorophenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 660229
1-Phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660808
N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1470577
2-({5-[(methylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N,N-diphenylacetamide
CID 2270550

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 673895) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide is Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GQTAEOVGIVHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS2/c11-6-1-3-7(4-2-6)13-8(16)5-17-10-15-14-9(12)18-10/h1-4H,5H2,(H2,12,14)(H,13,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 284.34 g/mol, XLogP of 1.99, 4 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 673895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).