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

C11H11N3OS — CID 2739696

IUPAC1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nsc(Nc2ccccc2)n1
InChIInChI=1S/C11H11N3OS/c1-8(15)7-10-13-11(16-14-10)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChIKeyXLJGKAGJWBNCSQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds4

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

1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one (PubChem CID 2739696) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one
PubChem CID2739696
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one
SMILESCC(=O)Cc1nsc(Nc2ccccc2)n1
InChIInChI=1S/C11H11N3OS/c1-8(15)7-10-13-11(16-14-10)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14)
InChIKeyXLJGKAGJWBNCSQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one?
The IUPAC name of 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one (CID 2739696) is 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one is CC(=O)Cc1nsc(Nc2ccccc2)n1.
What is the InChIKey of 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one?
The InChIKey is XLJGKAGJWBNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(15)7-10-13-11(16-14-10)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,14).
What are the key properties of 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one?
1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one has a molecular weight of 233.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-anilino-1,2,4-thiadiazol-3-yl)propan-2-one is sourced from PubChem (CID 2739696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).