5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole

C20H27FN4S — CID 71186355

IUPAC5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole
SMILESFc1cccc(-c2nsc(N3CCN(CCC4CCCCC4)CC3)n2)c1
InChIInChI=1S/C20H27FN4S/c21-18-8-4-7-17(15-18)19-22-20(26-23-19)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2
InChIKeyVEWYBQSPGHOWFE-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.44
Rot. Bonds5

About 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole

5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole (PubChem CID 71186355) has the molecular formula C20H27FN4S and a molecular weight of 374.53 g/mol. Its IUPAC name is 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole
PubChem CID71186355
Molecular FormulaC20H27FN4S
Molecular Weight374.53 g/mol
Exact Mass374.19
IUPAC Name5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole
SMILESFc1cccc(-c2nsc(N3CCN(CCC4CCCCC4)CC3)n2)c1
InChIInChI=1S/C20H27FN4S/c21-18-8-4-7-17(15-18)19-22-20(26-23-19)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2
InChIKeyVEWYBQSPGHOWFE-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole (CID 71186355) is 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole is Fc1cccc(-c2nsc(N3CCN(CCC4CCCCC4)CC3)n2)c1.
What is the InChIKey of 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole?
The InChIKey is VEWYBQSPGHOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4S/c21-18-8-4-7-17(15-18)19-22-20(26-23-19)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h4,7-8,15-16H,1-3,5-6,9-14H2.
What are the key properties of 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole?
5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole has a molecular weight of 374.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclohexylethyl)piperazin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 71186355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).