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

C10H19N5S — CID 65272150

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ncns2)CC1
InChIInChI=1S/C10H19N5S/c1-2-9(7-11)14-3-5-15(6-4-14)10-12-8-13-16-10/h8-9H,2-7,11H2,1H3
InChIKeyGIKPMNXMKOZXNK-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.40
Rot. Bonds4

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

2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine (PubChem CID 65272150) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
PubChem CID65272150
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ncns2)CC1
InChIInChI=1S/C10H19N5S/c1-2-9(7-11)14-3-5-15(6-4-14)10-12-8-13-16-10/h8-9H,2-7,11H2,1H3
InChIKeyGIKPMNXMKOZXNK-UHFFFAOYSA-N
XLogP0.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine (CID 65272150) is 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(c2ncns2)CC1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is GIKPMNXMKOZXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-2-9(7-11)14-3-5-15(6-4-14)10-12-8-13-16-10/h8-9H,2-7,11H2,1H3.
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine?
2-[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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 65272150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).