3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

C12H21N5S — CID 65276194

IUPAC3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESC(CNc1nc(C2CC2)ns1)CN1CCNCC1
InChIInChI=1S/C12H21N5S/c1(7-17-8-5-13-6-9-17)4-14-12-15-11(16-18-12)10-2-3-10/h10,13H,1-9H2,(H,14,15,16)
InChIKeyOKPLRTRGCHCBQY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.12
Rot. Bonds6

About 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276194) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276194
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESC(CNc1nc(C2CC2)ns1)CN1CCNCC1
InChIInChI=1S/C12H21N5S/c1(7-17-8-5-13-6-9-17)4-14-12-15-11(16-18-12)10-2-3-10/h10,13H,1-9H2,(H,14,15,16)
InChIKeyOKPLRTRGCHCBQY-UHFFFAOYSA-N
XLogP1.12
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65276194) is 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is C(CNc1nc(C2CC2)ns1)CN1CCNCC1.
What is the InChIKey of 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OKPLRTRGCHCBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1(7-17-8-5-13-6-9-17)4-14-12-15-11(16-18-12)10-2-3-10/h10,13H,1-9H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 267.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).