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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Related Compounds

5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 24513127
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 120848995
5-chloro-4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole
CID 9453722
7-[[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95903208
7-[(3-oxo-2-thiophen-2-ylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 71986544
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
CID 154784618
2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]ethyl 2-(4-chlorophenoxy)acetate
CID 92968939
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
4-[4-(aminomethyl)benzoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119333806
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903256

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).