1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C13H16F3N5O2S — CID 163356124

IUPAC1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nsc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1
InChIInChI=1S/C13H16F3N5O2S/c1-8-17-11(24-18-8)19-4-2-9(3-5-19)20-6-10(22)21(12(20)23)7-13(14,15)16/h9H,2-7H2,1H3
InChIKeyPVDZOOXCOVJRJN-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.64
Rot. Bonds3

About 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 163356124) has the molecular formula C13H16F3N5O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID163356124
Molecular FormulaC13H16F3N5O2S
Molecular Weight363.37 g/mol
Exact Mass363.10
IUPAC Name1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nsc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1
InChIInChI=1S/C13H16F3N5O2S/c1-8-17-11(24-18-8)19-4-2-9(3-5-19)20-6-10(22)21(12(20)23)7-13(14,15)16/h9H,2-7H2,1H3
InChIKeyPVDZOOXCOVJRJN-UHFFFAOYSA-N
XLogP1.64
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
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 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 163356124) is 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1nsc(N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)n1.
What is the InChIKey of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is PVDZOOXCOVJRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2S/c1-8-17-11(24-18-8)19-4-2-9(3-5-19)20-6-10(22)21(12(20)23)7-13(14,15)16/h9H,2-7H2,1H3.
What are the key properties of 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 363.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163356124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).