5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole

C9H16N4S — CID 53404027

IUPAC5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c1-7(2)8-11-9(14-12-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyFPKGXUVCJONZOI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.07
Rot. Bonds2

About 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole

5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 53404027) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID53404027
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4S/c1-7(2)8-11-9(14-12-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3
InChIKeyFPKGXUVCJONZOI-UHFFFAOYSA-N
XLogP1.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
CID 126829220
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
CID 54595871
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304468
4-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
CID 107304471
2-Methyl-3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-1-amine
CID 107304473
5-(3-Methylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304580

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole (CID 53404027) is 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCNCC2)n1.
What is the InChIKey of 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is FPKGXUVCJONZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7(2)8-11-9(14-12-8)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole?
5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 53404027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).