4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde

C9H12N4O2S — CID 7293413

IUPAC4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde
SMILESCc1nnsc1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C9H12N4O2S/c1-7-8(16-11-10-7)9(15)13-4-2-12(6-14)3-5-13/h6H,2-5H2,1H3
InChIKeyPIVWRFGFEOMMCF-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.24
Rot. Bonds2

About 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde

4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde (PubChem CID 7293413) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde
PubChem CID7293413
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde
SMILESCc1nnsc1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C9H12N4O2S/c1-7-8(16-11-10-7)9(15)13-4-2-12(6-14)3-5-13/h6H,2-5H2,1H3
InChIKeyPIVWRFGFEOMMCF-UHFFFAOYSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde (CID 7293413) is 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde is Cc1nnsc1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is PIVWRFGFEOMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-7-8(16-11-10-7)9(15)13-4-2-12(6-14)3-5-13/h6H,2-5H2,1H3.
What are the key properties of 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde?
4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 240.29 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiadiazole-5-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 7293413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).