ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C17H20F3N3O4S — CID 155964633

IUPACethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)C3CCN(CC(F)(F)F)C(=O)C3)nc21
InChIInChI=1S/C17H20F3N3O4S/c1-2-27-15(26)10-3-4-11-13(10)21-16(28-11)22-14(25)9-5-6-23(12(24)7-9)8-17(18,19)20/h9-10H,2-8H2,1H3,(H,21,22,25)
InChIKeyYHMIKVVXEKZQDA-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.48
Rot. Bonds5

About ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 155964633) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID155964633
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC Nameethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)C3CCN(CC(F)(F)F)C(=O)C3)nc21
InChIInChI=1S/C17H20F3N3O4S/c1-2-27-15(26)10-3-4-11-13(10)21-16(28-11)22-14(25)9-5-6-23(12(24)7-9)8-17(18,19)20/h9-10H,2-8H2,1H3,(H,21,22,25)
InChIKeyYHMIKVVXEKZQDA-UHFFFAOYSA-N
XLogP2.48
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 155964633) is ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(NC(=O)C3CCN(CC(F)(F)F)C(=O)C3)nc21.
What is the InChIKey of ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is YHMIKVVXEKZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-2-27-15(26)10-3-4-11-13(10)21-16(28-11)22-14(25)9-5-6-23(12(24)7-9)8-17(18,19)20/h9-10H,2-8H2,1H3,(H,21,22,25).
What are the key properties of ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 419.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 155964633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).