5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C13H18ClN5O2S — CID 75373860

IUPAC5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C)(C2CCCN(Cc3nnsc3Cl)C2)C1=O
InChIInChI=1S/C13H18ClN5O2S/c1-13(11(20)18(2)12(21)15-13)8-4-3-5-19(6-8)7-9-10(14)22-17-16-9/h8H,3-7H2,1-2H3,(H,15,21)
InChIKeyLJVWBUUCAMZTLL-UHFFFAOYSA-N
MW343.84 g/mol
LogP1.34
Rot. Bonds3

About 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 75373860) has the molecular formula C13H18ClN5O2S and a molecular weight of 343.84 g/mol. Its IUPAC name is 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID75373860
Molecular FormulaC13H18ClN5O2S
Molecular Weight343.84 g/mol
Exact Mass343.09
IUPAC Name5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C)(C2CCCN(Cc3nnsc3Cl)C2)C1=O
InChIInChI=1S/C13H18ClN5O2S/c1-13(11(20)18(2)12(21)15-13)8-4-3-5-19(6-8)7-9-10(14)22-17-16-9/h8H,3-7H2,1-2H3,(H,15,21)
InChIKeyLJVWBUUCAMZTLL-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 75373860) is 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is CN1C(=O)NC(C)(C2CCCN(Cc3nnsc3Cl)C2)C1=O.
What is the InChIKey of 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LJVWBUUCAMZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2S/c1-13(11(20)18(2)12(21)15-13)8-4-3-5-19(6-8)7-9-10(14)22-17-16-9/h8H,3-7H2,1-2H3,(H,15,21).
What are the key properties of 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 343.84 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 75373860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).