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

C9H9F3N4O2S — CID 70616466

IUPAC4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESC=CCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H9F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h2,5,17H,1,3-4H2
InChIKeyKQGPWLQDBPBFBN-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.30
Rot. Bonds3

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

4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70616466) has the molecular formula C9H9F3N4O2S and a molecular weight of 294.26 g/mol. Its IUPAC name is 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70616466
Molecular FormulaC9H9F3N4O2S
Molecular Weight294.26 g/mol
Exact Mass294.04
IUPAC Name4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESC=CCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H9F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h2,5,17H,1,3-4H2
InChIKeyKQGPWLQDBPBFBN-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70616466) is 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is C=CCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is KQGPWLQDBPBFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h2,5,17H,1,3-4H2.
What are the key properties of 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 294.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70616466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).