4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one

C11H14F3N3O3S — CID 121324927

IUPAC4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCCCOC1C(O)N(c2ncc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C11H14F3N3O3S/c1-3-4-20-8-7(18)17(10(19)16(8)2)9-15-5-6(21-9)11(12,13)14/h5,7-8,18H,3-4H2,1-2H3
InChIKeyVZSIQUMQKLXONX-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.10
Rot. Bonds4

About 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one

4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 121324927) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID121324927
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCCCOC1C(O)N(c2ncc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C11H14F3N3O3S/c1-3-4-20-8-7(18)17(10(19)16(8)2)9-15-5-6(21-9)11(12,13)14/h5,7-8,18H,3-4H2,1-2H3
InChIKeyVZSIQUMQKLXONX-UHFFFAOYSA-N
XLogP2.10
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 121324927) is 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one is CCCOC1C(O)N(c2ncc(C(F)(F)F)s2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is VZSIQUMQKLXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-3-4-20-8-7(18)17(10(19)16(8)2)9-15-5-6(21-9)11(12,13)14/h5,7-8,18H,3-4H2,1-2H3.
What are the key properties of 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 325.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-propoxy-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 121324927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).