[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate

C19H19F3N4O3S — CID 70608930

IUPAC[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate
SMILESCN1CC(OC(=O)c2ccc(C(F)(F)F)cc2)N(c2nnc(C3CCCC3)s2)C1=O
InChIInChI=1S/C19H19F3N4O3S/c1-25-10-14(29-16(27)12-6-8-13(9-7-12)19(20,21)22)26(18(25)28)17-24-23-15(30-17)11-4-2-3-5-11/h6-9,11,14H,2-5,10H2,1H3
InChIKeyGRQMICUGIVOYFV-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.27
Rot. Bonds4

About [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate

[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate (PubChem CID 70608930) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate
PubChem CID70608930
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate
SMILESCN1CC(OC(=O)c2ccc(C(F)(F)F)cc2)N(c2nnc(C3CCCC3)s2)C1=O
InChIInChI=1S/C19H19F3N4O3S/c1-25-10-14(29-16(27)12-6-8-13(9-7-12)19(20,21)22)26(18(25)28)17-24-23-15(30-17)11-4-2-3-5-11/h6-9,11,14H,2-5,10H2,1H3
InChIKeyGRQMICUGIVOYFV-UHFFFAOYSA-N
XLogP4.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate (CID 70608930) is [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate is CN1CC(OC(=O)c2ccc(C(F)(F)F)cc2)N(c2nnc(C3CCCC3)s2)C1=O.
What is the InChIKey of [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate?
The InChIKey is GRQMICUGIVOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-25-10-14(29-16(27)12-6-8-13(9-7-12)19(20,21)22)26(18(25)28)17-24-23-15(30-17)11-4-2-3-5-11/h6-9,11,14H,2-5,10H2,1H3.
What are the key properties of [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate?
[3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate has a molecular weight of 440.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 70608930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).