(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone

C15H19N5OS — CID 86780281

IUPAC(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(N2CCN(C(=O)c3nnsc3N)CC2)cc1
InChIInChI=1S/C15H19N5OS/c1-2-11-3-5-12(6-4-11)19-7-9-20(10-8-19)15(21)13-14(16)22-18-17-13/h3-6H,2,7-10,16H2,1H3
InChIKeyFBUFGTICDKUPJX-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.65
Rot. Bonds3

About (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone

(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone (PubChem CID 86780281) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
PubChem CID86780281
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(N2CCN(C(=O)c3nnsc3N)CC2)cc1
InChIInChI=1S/C15H19N5OS/c1-2-11-3-5-12(6-4-11)19-7-9-20(10-8-19)15(21)13-14(16)22-18-17-13/h3-6H,2,7-10,16H2,1H3
InChIKeyFBUFGTICDKUPJX-UHFFFAOYSA-N
XLogP1.65
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone (CID 86780281) is (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone is CCc1ccc(N2CCN(C(=O)c3nnsc3N)CC2)cc1.
What is the InChIKey of (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
The InChIKey is FBUFGTICDKUPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-11-3-5-12(6-4-11)19-7-9-20(10-8-19)15(21)13-14(16)22-18-17-13/h3-6H,2,7-10,16H2,1H3.
What are the key properties of (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone?
(5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone has a molecular weight of 317.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothiadiazol-4-yl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86780281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).