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

C9H17N5S — CID 65270179

IUPAC3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C9H17N5S/c10-2-1-3-13-4-6-14(7-5-13)9-11-8-12-15-9/h8H,1-7,10H2
InChIKeyFFCUUDYLYQPMTN-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.01
Rot. Bonds4

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

3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine (PubChem CID 65270179) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
PubChem CID65270179
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ncns2)CC1
InChIInChI=1S/C9H17N5S/c10-2-1-3-13-4-6-14(7-5-13)9-11-8-12-15-9/h8H,1-7,10H2
InChIKeyFFCUUDYLYQPMTN-UHFFFAOYSA-N
XLogP0.01
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine (CID 65270179) is 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2ncns2)CC1.
What is the InChIKey of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is FFCUUDYLYQPMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c10-2-1-3-13-4-6-14(7-5-13)9-11-8-12-15-9/h8H,1-7,10H2.
What are the key properties of 3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 227.34 g/mol, XLogP of 0.01, 4 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]propan-1-amine is sourced from PubChem (CID 65270179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).