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

C16H21F3N4O2S — CID 163356354

IUPAC1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nc(C)c(CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)s1
InChIInChI=1S/C16H21F3N4O2S/c1-10-13(26-11(2)20-10)7-21-5-3-12(4-6-21)22-8-14(24)23(15(22)25)9-16(17,18)19/h12H,3-9H2,1-2H3
InChIKeyAWYMAQVFJBRWKL-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.55
Rot. Bonds4

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

1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 163356354) has the molecular formula C16H21F3N4O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID163356354
Molecular FormulaC16H21F3N4O2S
Molecular Weight390.43 g/mol
Exact Mass390.13
IUPAC Name1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESCc1nc(C)c(CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)s1
InChIInChI=1S/C16H21F3N4O2S/c1-10-13(26-11(2)20-10)7-21-5-3-12(4-6-21)22-8-14(24)23(15(22)25)9-16(17,18)19/h12H,3-9H2,1-2H3
InChIKeyAWYMAQVFJBRWKL-UHFFFAOYSA-N
XLogP2.55
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.55
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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 163356354) is 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is Cc1nc(C)c(CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)s1.
What is the InChIKey of 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is AWYMAQVFJBRWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2S/c1-10-13(26-11(2)20-10)7-21-5-3-12(4-6-21)22-8-14(24)23(15(22)25)9-16(17,18)19/h12H,3-9H2,1-2H3.
What are the key properties of 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 390.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).