1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one

C9H16N4OS — CID 112708167

IUPAC1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NCCN(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-7(14)6-8-11-9(15-12-8)10-4-5-13(2)3/h4-6H2,1-3H3,(H,10,11,12)
InChIKeyYOAICXMJQYCZAD-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.64
Rot. Bonds6

About 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (PubChem CID 112708167) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
PubChem CID112708167
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
SMILESCC(=O)Cc1nsc(NCCN(C)C)n1
InChIInChI=1S/C9H16N4OS/c1-7(14)6-8-11-9(15-12-8)10-4-5-13(2)3/h4-6H2,1-3H3,(H,10,11,12)
InChIKeyYOAICXMJQYCZAD-UHFFFAOYSA-N
XLogP0.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The IUPAC name of 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one (CID 112708167) is 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is CC(=O)Cc1nsc(NCCN(C)C)n1.
What is the InChIKey of 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
The InChIKey is YOAICXMJQYCZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7(14)6-8-11-9(15-12-8)10-4-5-13(2)3/h4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one?
1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one is sourced from PubChem (CID 112708167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).