4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one

C11H11ClN4OS2 — CID 71986542

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(Cc2nnsc2Cl)C1c1cccs1
InChIInChI=1S/C11H11ClN4OS2/c12-10-7(14-15-19-10)6-16-4-3-13-11(17)9(16)8-2-1-5-18-8/h1-2,5,9H,3-4,6H2,(H,13,17)
InChIKeyIMRMJVNEKAEDAM-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.93
Rot. Bonds3

About 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one

4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 71986542) has the molecular formula C11H11ClN4OS2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID71986542
Molecular FormulaC11H11ClN4OS2
Molecular Weight314.82 g/mol
Exact Mass314.01
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESO=C1NCCN(Cc2nnsc2Cl)C1c1cccs1
InChIInChI=1S/C11H11ClN4OS2/c12-10-7(14-15-19-10)6-16-4-3-13-11(17)9(16)8-2-1-5-18-8/h1-2,5,9H,3-4,6H2,(H,13,17)
InChIKeyIMRMJVNEKAEDAM-UHFFFAOYSA-N
XLogP1.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one (CID 71986542) is 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one is O=C1NCCN(Cc2nnsc2Cl)C1c1cccs1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is IMRMJVNEKAEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS2/c12-10-7(14-15-19-10)6-16-4-3-13-11(17)9(16)8-2-1-5-18-8/h1-2,5,9H,3-4,6H2,(H,13,17).
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 314.82 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 71986542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).