5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole

C16H28N4S — CID 133493059

IUPAC5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N4S/c1-13(2)12-15-17-16(21-18-15)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyIDUCYDNWFPEBOO-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.19
Rot. Bonds4

About 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole

5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 133493059) has the molecular formula C16H28N4S and a molecular weight of 308.49 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID133493059
Molecular FormulaC16H28N4S
Molecular Weight308.49 g/mol
Exact Mass308.20
IUPAC Name5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N4S/c1-13(2)12-15-17-16(21-18-15)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyIDUCYDNWFPEBOO-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
CID 133484390
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 124508353
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133493081
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 133485658
4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 136532398
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
1-(furan-2-yl)-2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]azepan-2-yl]ethanol
CID 133491384
2-(4-cyclohexylpiperazin-1-yl)-5-methyl-1,3-thiazole
CID 171701816

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole (CID 133493059) is 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole is CC(C)Cc1nsc(N2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is IDUCYDNWFPEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-13(2)12-15-17-16(21-18-15)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 308.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133493059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).