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

C11H12N4OS2 — CID 1301081

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H12N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyPJVFRIQPQACFOP-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.88
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 1301081) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID1301081
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nnc(N)s1)c1ccccc1
InChIInChI=1S/C11H12N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h2-6H,7H2,1H3,(H2,12,13)
InChIKeyPJVFRIQPQACFOP-UHFFFAOYSA-N
XLogP1.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
Cambridge id 6954776
CID 716699
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)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
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-Phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660808
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 845793
N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 980311
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1289394
2-({5-[(methylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N,N-diphenylacetamide
CID 2270550
N,N-diethyl-4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 2400614
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2460687

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide (CID 1301081) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide is CN(C(=O)CSc1nnc(N)s1)c1ccccc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is PJVFRIQPQACFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-15(8-5-3-2-4-6-8)9(16)7-17-11-14-13-10(12)18-11/h2-6H,7H2,1H3,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 280.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 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-methyl-N-phenylacetamide is sourced from PubChem (CID 1301081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).