(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid

C17H24F3N3O6S — CID 67406506

IUPAC(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESCOCc1nc(CN2CCN([C@H](C(=O)O)C(C)(C)C)C2=O)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O4S.C2HF3O2/c1-15(2,3)12(13(19)20)18-6-5-17(14(18)21)7-10-9-23-11(16-10)8-22-4;3-2(4,5)1(6)7/h9,12H,5-8H2,1-4H3,(H,19,20);(H,6,7)/t12-;/m1./s1
InChIKeyYDGUPDARRLXSNB-UTONKHPSSA-N
MW455.46 g/mol
LogP2.66
Rot. Bonds6

About (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid

(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 67406506) has the molecular formula C17H24F3N3O6S and a molecular weight of 455.46 g/mol. Its IUPAC name is (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
PubChem CID67406506
Molecular FormulaC17H24F3N3O6S
Molecular Weight455.46 g/mol
Exact Mass455.13
IUPAC Name(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESCOCc1nc(CN2CCN([C@H](C(=O)O)C(C)(C)C)C2=O)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O4S.C2HF3O2/c1-15(2,3)12(13(19)20)18-6-5-17(14(18)21)7-10-9-23-11(16-10)8-22-4;3-2(4,5)1(6)7/h9,12H,5-8H2,1-4H3,(H,19,20);(H,6,7)/t12-;/m1./s1
InChIKeyYDGUPDARRLXSNB-UTONKHPSSA-N
XLogP2.66
TPSA120.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid (CID 67406506) is (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid is COCc1nc(CN2CCN([C@H](C(=O)O)C(C)(C)C)C2=O)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YDGUPDARRLXSNB-UTONKHPSSA-N. The full InChI is InChI=1S/C15H23N3O4S.C2HF3O2/c1-15(2,3)12(13(19)20)18-6-5-17(14(18)21)7-10-9-23-11(16-10)8-22-4;3-2(4,5)1(6)7/h9,12H,5-8H2,1-4H3,(H,19,20);(H,6,7)/t12-;/m1./s1.
What are the key properties of (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid?
(2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 455.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67406506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).