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

C15H18F3N5O2S — CID 163356356

IUPAC1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CCN(c3nc(C4CC4)ns3)CC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)8-23-11(24)7-22(14(23)25)10-3-5-21(6-4-10)13-19-12(20-26-13)9-1-2-9/h9-10H,1-8H2
InChIKeyPLZYTWJJIQOWFF-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.21
Rot. Bonds4

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

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 163356356) has the molecular formula C15H18F3N5O2S and a molecular weight of 389.40 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID163356356
Molecular FormulaC15H18F3N5O2S
Molecular Weight389.40 g/mol
Exact Mass389.11
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CCN(c3nc(C4CC4)ns3)CC2)C(=O)N1CC(F)(F)F
InChIInChI=1S/C15H18F3N5O2S/c16-15(17,18)8-23-11(24)7-22(14(23)25)10-3-5-21(6-4-10)13-19-12(20-26-13)9-1-2-9/h9-10H,1-8H2
InChIKeyPLZYTWJJIQOWFF-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.21
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-cyclopropyl-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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 163356356) is 1-[1-(3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C1CN(C2CCN(c3nc(C4CC4)ns3)CC2)C(=O)N1CC(F)(F)F.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is PLZYTWJJIQOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2S/c16-15(17,18)8-23-11(24)7-22(14(23)25)10-3-5-21(6-4-10)13-19-12(20-26-13)9-1-2-9/h9-10H,1-8H2.
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 389.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163356356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).