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

C7H11N3OS — CID 142024937

IUPAC1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nsc(N)n1
InChIInChI=1S/C7H11N3OS/c1-7(2,3)4(11)5-9-6(8)12-10-5/h1-3H3,(H2,8,9,10)
InChIKeyIBCJMSMRNWWVPA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.35
Rot. Bonds1

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

1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 142024937) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one
PubChem CID142024937
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nsc(N)n1
InChIInChI=1S/C7H11N3OS/c1-7(2,3)4(11)5-9-6(8)12-10-5/h1-3H3,(H2,8,9,10)
InChIKeyIBCJMSMRNWWVPA-UHFFFAOYSA-N
XLogP1.35
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one (CID 142024937) is 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1nsc(N)n1.
What is the InChIKey of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is IBCJMSMRNWWVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-7(2,3)4(11)5-9-6(8)12-10-5/h1-3H3,(H2,8,9,10).
What are the key properties of 1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one?
1-(5-amino-1,2,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 185.25 g/mol, XLogP of 1.35, 1 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 142024937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).