3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one

C9H12N4O2S — CID 63607427

IUPAC3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCc1nnsc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C9H12N4O2S/c1-5-7(16-12-11-5)9(15)13-4-3-10-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,10,14)
InChIKeyLWRACPHDTDPCJY-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.19
Rot. Bonds1

About 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one

3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one (PubChem CID 63607427) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
PubChem CID63607427
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCc1nnsc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C9H12N4O2S/c1-5-7(16-12-11-5)9(15)13-4-3-10-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,10,14)
InChIKeyLWRACPHDTDPCJY-UHFFFAOYSA-N
XLogP-0.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one (CID 63607427) is 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one is Cc1nnsc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The InChIKey is LWRACPHDTDPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-5-7(16-12-11-5)9(15)13-4-3-10-8(14)6(13)2/h6H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one has a molecular weight of 240.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 63607427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).