1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one

C19H20F3N3O3S — CID 58031407

IUPAC1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCCCC(=O)c1sc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)nc1C
InChIInChI=1S/C19H20F3N3O3S/c1-3-4-15(26)16-12(2)23-17(29-16)25-10-9-24(18(25)27)11-13-5-7-14(8-6-13)28-19(20,21)22/h5-8H,3-4,9-11H2,1-2H3
InChIKeyTXFPEQWQCOUYDR-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.78
Rot. Bonds7

About 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one

1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (PubChem CID 58031407) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
PubChem CID58031407
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILESCCCC(=O)c1sc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)nc1C
InChIInChI=1S/C19H20F3N3O3S/c1-3-4-15(26)16-12(2)23-17(29-16)25-10-9-24(18(25)27)11-13-5-7-14(8-6-13)28-19(20,21)22/h5-8H,3-4,9-11H2,1-2H3
InChIKeyTXFPEQWQCOUYDR-UHFFFAOYSA-N
XLogP4.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one 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 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one (CID 58031407) is 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is CCCC(=O)c1sc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)nc1C.
What is the InChIKey of 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
The InChIKey is TXFPEQWQCOUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c1-3-4-15(26)16-12(2)23-17(29-16)25-10-9-24(18(25)27)11-13-5-7-14(8-6-13)28-19(20,21)22/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one?
1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one has a molecular weight of 427.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butanoyl-4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 58031407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).