5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

C15H26N4S — CID 133328609

IUPAC5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C15H26N4S/c1-2-14-16-15(20-17-14)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3
InChIKeyUNSVJWZJVGAYBS-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.80
Rot. Bonds4

About 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole

5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133328609) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133328609
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C15H26N4S/c1-2-14-16-15(20-17-14)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3
InChIKeyUNSVJWZJVGAYBS-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 133328609) is 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCN(CC3CCCCC3)CC2)n1.
What is the InChIKey of 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is UNSVJWZJVGAYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-2-14-16-15(20-17-14)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h13H,2-12H2,1H3.
What are the key properties of 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 294.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclohexylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).