(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone

C9H14N4OS — CID 71877252

IUPAC(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnns1
InChIInChI=1S/C9H14N4OS/c1-7-6-12(2)3-4-13(7)9(14)8-5-10-11-15-8/h5,7H,3-4,6H2,1-2H3
InChIKeyQGLZXLAMANFFCO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.31
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone (PubChem CID 71877252) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
PubChem CID71877252
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnns1
InChIInChI=1S/C9H14N4OS/c1-7-6-12(2)3-4-13(7)9(14)8-5-10-11-15-8/h5,7H,3-4,6H2,1-2H3
InChIKeyQGLZXLAMANFFCO-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromothiophen-2-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877365
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 71877168
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 102788006
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 81212069
1-benzothiophen-2-yl-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877088
(4-chloro-3-methylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 114683044
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43522625
(3,4-dihydroxyphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 103957022
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone (CID 71877252) is (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone is CC1CN(C)CCN1C(=O)c1cnns1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is QGLZXLAMANFFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-7-6-12(2)3-4-13(7)9(14)8-5-10-11-15-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 71877252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).