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

C9H15FN4S — CID 121020691

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CCF)CC2)s1
InChIInChI=1S/C9H15FN4S/c1-8-11-12-9(15-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3
InChIKeyDZYCNAXQAJPWQN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.94
Rot. Bonds3

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 121020691) has the molecular formula C9H15FN4S and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID121020691
Molecular FormulaC9H15FN4S
Molecular Weight230.31 g/mol
Exact Mass230.10
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(CCF)CC2)s1
InChIInChI=1S/C9H15FN4S/c1-8-11-12-9(15-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3
InChIKeyDZYCNAXQAJPWQN-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 121020691) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCN(CCF)CC2)s1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is DZYCNAXQAJPWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4S/c1-8-11-12-9(15-8)14-6-4-13(3-2-10)5-7-14/h2-7H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-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 2-[4-(2-fluoroethyl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 121020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).