4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one

C8H9F3N4O2S — CID 70624153

IUPAC4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C8H9F3N4O2S/c1-3-4(16)15(7(17)14(3)2)6-13-12-5(18-6)8(9,10)11/h3-4,16H,1-2H3
InChIKeyBMDNATZVRHQHDM-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.14
Rot. Bonds1

About 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one

4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70624153) has the molecular formula C8H9F3N4O2S and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70624153
Molecular FormulaC8H9F3N4O2S
Molecular Weight282.25 g/mol
Exact Mass282.04
IUPAC Name4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C
InChIInChI=1S/C8H9F3N4O2S/c1-3-4(16)15(7(17)14(3)2)6-13-12-5(18-6)8(9,10)11/h3-4,16H,1-2H3
InChIKeyBMDNATZVRHQHDM-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70624153) is 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CC1C(O)N(c2nnc(C(F)(F)F)s2)C(=O)N1C.
What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is BMDNATZVRHQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O2S/c1-3-4(16)15(7(17)14(3)2)6-13-12-5(18-6)8(9,10)11/h3-4,16H,1-2H3.
What are the key properties of 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 282.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,5-dimethyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70624153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).