1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one

C5H7N3OS — CID 54775331

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nsc(N)n1
InChIInChI=1S/C5H7N3OS/c1-3(9)2-4-7-5(6)10-8-4/h2H2,1H3,(H2,6,7,8)
InChIKeyDJJDXQQCKYTDEN-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.25
Rot. Bonds2

About 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one

1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one (PubChem CID 54775331) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one
PubChem CID54775331
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nsc(N)n1
InChIInChI=1S/C5H7N3OS/c1-3(9)2-4-7-5(6)10-8-4/h2H2,1H3,(H2,6,7,8)
InChIKeyDJJDXQQCKYTDEN-UHFFFAOYSA-N
XLogP0.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
CID 653344
1-[5-(Butylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 3317921
3-Acetonyl-5-cyano-1,2,4-thiadiazole
CID 11084263
3-(5-Amino-1,2,4-thiadiazol-3-yl)-3-fluorobutan-2-one
CID 175248949
1-[5-(Propylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4275800
2-(5-Amino-1,2,4-thiadiazol-3-yl)acetyl chloride
CID 19930549
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)propan-2-one
CID 20130490
2-(5-Amino-1,2,4-thiadiazol-3-yl)acetamide
CID 21757250
Methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)acetate
CID 22027929
1-(5-Amino-1,2,4-thiadiazol-3-yl)ethanone
CID 23319479
2-(5-Amino-1,2,4-thiadiazol-3-yl)acetaldehyde
CID 53760726
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-methyliminoethanone;yttrium
CID 59032339

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one (CID 54775331) is 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one is CC(=O)Cc1nsc(N)n1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one?
The InChIKey is DJJDXQQCKYTDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3(9)2-4-7-5(6)10-8-4/h2H2,1H3,(H2,6,7,8).
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one?
1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one has a molecular weight of 157.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,2,4-thiadiazol-3-yl)propan-2-one is sourced from PubChem (CID 54775331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).