5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

C13H14ClFN4S — CID 43407835

IUPAC5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1ccc(N2CCN(Cc3nnsc3Cl)CC2)cc1
InChIInChI=1S/C13H14ClFN4S/c14-13-12(16-17-20-13)9-18-5-7-19(8-6-18)11-3-1-10(15)2-4-11/h1-4H,5-9H2
InChIKeyXFTXCSSYEUSNDN-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 43407835) has the molecular formula C13H14ClFN4S and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID43407835
Molecular FormulaC13H14ClFN4S
Molecular Weight312.80 g/mol
Exact Mass312.06
IUPAC Name5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
SMILESFc1ccc(N2CCN(Cc3nnsc3Cl)CC2)cc1
InChIInChI=1S/C13H14ClFN4S/c14-13-12(16-17-20-13)9-18-5-7-19(8-6-18)11-3-1-10(15)2-4-11/h1-4H,5-9H2
InChIKeyXFTXCSSYEUSNDN-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole (CID 43407835) is 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is Fc1ccc(N2CCN(Cc3nnsc3Cl)CC2)cc1.
What is the InChIKey of 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is XFTXCSSYEUSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4S/c14-13-12(16-17-20-13)9-18-5-7-19(8-6-18)11-3-1-10(15)2-4-11/h1-4H,5-9H2.
What are the key properties of 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 312.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 43407835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).