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

C9H11F3N4O2S — CID 70639089

IUPAC4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H11F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h5,17H,2-4H2,1H3
InChIKeyCCTWKDYMPUESCV-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.53
Rot. Bonds3

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

4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (PubChem CID 70639089) has the molecular formula C9H11F3N4O2S and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
PubChem CID70639089
Molecular FormulaC9H11F3N4O2S
Molecular Weight296.27 g/mol
Exact Mass296.06
IUPAC Name4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
SMILESCCCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C9H11F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h5,17H,2-4H2,1H3
InChIKeyCCTWKDYMPUESCV-UHFFFAOYSA-N
XLogP1.53
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Buthidazole
CID 41462
1-Methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol
CID 20309809
1,5-Dimethyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol
CID 20322075
5-Hydroxy-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
CID 21318274
1-Ethyl-5-hydroxy-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidine-2,4-dione
CID 21318285
1-Ethyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol
CID 21440067
3-Oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-ol
CID 21440098
4-(2-Methoxyethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68120700
4-(2-Hydroxyethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68120701
4-(Diethylamino)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 68121171
4-Hydroxy-1-prop-2-enyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70616466
4-Hydroxy-5-(methoxymethyl)-1-methyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one
CID 70618865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one (CID 70639089) is 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is CCCN1CC(O)N(c2nnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
The InChIKey is CCTWKDYMPUESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2S/c1-2-3-15-4-5(17)16(8(15)18)7-14-13-6(19-7)9(10,11)12/h5,17H,2-4H2,1H3.
What are the key properties of 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one?
4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one has a molecular weight of 296.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 70639089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).