5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

C9H15FN4S — CID 121020694

IUPAC5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCF)CC2)n1
InChIInChI=1S/C9H15FN4S/c1-8-11-9(15-12-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3
InChIKeyNHUYOHASISXBBJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.94
Rot. Bonds3

About 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 121020694) has the molecular formula C9H15FN4S and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID121020694
Molecular FormulaC9H15FN4S
Molecular Weight230.31 g/mol
Exact Mass230.10
IUPAC Name5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN(CCF)CC2)n1
InChIInChI=1S/C9H15FN4S/c1-8-11-9(15-12-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3
InChIKeyNHUYOHASISXBBJ-UHFFFAOYSA-N
XLogP0.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-((dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 332609
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
CID 126829220
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
Sodium 4-(3-methyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarbodithioate
CID 23690464
N-ethyl-N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
CID 83959823
N,N-dimethyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
CID 83959824
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetonitrile
CID 107304513
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile
CID 107304514
2-Methyl-2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile
CID 107304517
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanethioamide
CID 107304534

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 121020694) is 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCN(CCF)CC2)n1.
What is the InChIKey of 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is NHUYOHASISXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4S/c1-8-11-9(15-12-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3.
What are the key properties of 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 230.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 121020694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).