(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C9H14N4OS — CID 63908832

IUPAC(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cnsn1
InChIInChI=1S/C9H14N4OS/c1-6-3-10-4-7(2)13(6)9(14)8-5-11-15-12-8/h5-7,10H,3-4H2,1-2H3
InChIKeyJTPPFERPUIJHLG-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.36
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 63908832) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID63908832
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cnsn1
InChIInChI=1S/C9H14N4OS/c1-6-3-10-4-7(2)13(6)9(14)8-5-11-15-12-8/h5-7,10H,3-4H2,1-2H3
InChIKeyJTPPFERPUIJHLG-UHFFFAOYSA-N
XLogP0.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 63908832) is (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is CC1CNCC(C)N1C(=O)c1cnsn1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is JTPPFERPUIJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-3-10-4-7(2)13(6)9(14)8-5-11-15-12-8/h5-7,10H,3-4H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 63908832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).