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

C15H17F3N4O3S — CID 126851010

IUPAC1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1ncsc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H17F3N4O3S/c1-9-12(26-8-19-9)13(24)20-4-2-10(3-5-20)21-6-11(23)22(14(21)25)7-15(16,17)18/h8,10H,2-7H2,1H3
InChIKeyVMXKRWHYJFGNRL-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.88
Rot. Bonds3

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

1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126851010) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126851010
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1ncsc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C15H17F3N4O3S/c1-9-12(26-8-19-9)13(24)20-4-2-10(3-5-20)21-6-11(23)22(14(21)25)7-15(16,17)18/h8,10H,2-7H2,1H3
InChIKeyVMXKRWHYJFGNRL-UHFFFAOYSA-N
XLogP1.88
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126851010) is 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1ncsc1C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is VMXKRWHYJFGNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-9-12(26-8-19-9)13(24)20-4-2-10(3-5-20)21-6-11(23)22(14(21)25)7-15(16,17)18/h8,10H,2-7H2,1H3.
What are the key properties of 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 390.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126851010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).