3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine

C11H21N5S — CID 65270343

IUPAC3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H21N5S/c1-2-10(3-4-12)15-5-7-16(8-6-15)11-13-9-14-17-11/h9-10H,2-8,12H2,1H3
InChIKeyLCYSNFZSWCCIQW-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.79
Rot. Bonds5

About 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine

3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 65270343) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
PubChem CID65270343
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncns2)CC1
InChIInChI=1S/C11H21N5S/c1-2-10(3-4-12)15-5-7-16(8-6-15)11-13-9-14-17-11/h9-10H,2-8,12H2,1H3
InChIKeyLCYSNFZSWCCIQW-UHFFFAOYSA-N
XLogP0.79
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 18999085
N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
N-[(3S)-1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanesulfonamide
CID 99630783
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 15813437
5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 15813438
5-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 18999113
3-(4-Butylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303067
5-((1R)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 45099833
5-((1S)-2,5-Diazabicyclo[2.2.1]heptan-2-yl)-1,2,4-thiadiazole
CID 45099834
5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 57205779
3-piperidin-1-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269164
5-[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,4-thiadiazole
CID 67783429

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine (CID 65270343) is 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2ncns2)CC1.
What is the InChIKey of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is LCYSNFZSWCCIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-2-10(3-4-12)15-5-7-16(8-6-15)11-13-9-14-17-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 65270343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).