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

C10H19N5S — CID 65270551

IUPAC4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C10H19N5S/c11-3-1-2-4-14-5-7-15(8-6-14)10-12-9-13-16-10/h9H,1-8,11H2
InChIKeyHREISXNHXVQNGS-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.40
Rot. Bonds5

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

4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine (PubChem CID 65270551) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
PubChem CID65270551
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C10H19N5S/c11-3-1-2-4-14-5-7-15(8-6-14)10-12-9-13-16-10/h9H,1-8,11H2
InChIKeyHREISXNHXVQNGS-UHFFFAOYSA-N
XLogP0.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65270235
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203
5-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304475
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 115993890

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine (CID 65270551) is 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine is NCCCCN1CCN(c2ncns2)CC1.
What is the InChIKey of 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is HREISXNHXVQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c11-3-1-2-4-14-5-7-15(8-6-14)10-12-9-13-16-10/h9H,1-8,11H2.
What are the key properties of 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 65270551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).