1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

C11H14F3N3O3S — CID 154795592

IUPAC1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(=O)N1CSCC1C(=O)N1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O3S/c1-7(18)17-6-21-3-8(17)10(20)15-2-9(19)16(5-15)4-11(12,13)14/h8H,2-6H2,1H3
InChIKeyCTJRYGBREQMVAN-UHFFFAOYSA-N
MW325.31 g/mol
LogP0.10
Rot. Bonds2

About 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one

1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (PubChem CID 154795592) has the molecular formula C11H14F3N3O3S and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
PubChem CID154795592
Molecular FormulaC11H14F3N3O3S
Molecular Weight325.31 g/mol
Exact Mass325.07
IUPAC Name1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
SMILESCC(=O)N1CSCC1C(=O)N1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O3S/c1-7(18)17-6-21-3-8(17)10(20)15-2-9(19)16(5-15)4-11(12,13)14/h8H,2-6H2,1H3
InChIKeyCTJRYGBREQMVAN-UHFFFAOYSA-N
XLogP0.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 16254648
2-(5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 119052310
4,4,4-Trifluoro-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 122142989
4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 124607349
4,4,4-trifluoro-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 124607350
2-[(7aS)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 124735147
2-[(7aR)-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 124735148
(7aR)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 8002960
(7aS)-6-ethyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 8002961
(7aR)-6-butyl-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 10059095
N,N-dimethyl-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carboxamide
CID 127745697
3,3,6-Trimethyl-1,7a-dihydroimidazo[1,5-c][1,3]thiazole-5,7-dione
CID 134117763

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The IUPAC name of 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one (CID 154795592) is 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one.
What is the SMILES notation for 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The canonical SMILES for 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is CC(=O)N1CSCC1C(=O)N1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
The InChIKey is CTJRYGBREQMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S/c1-7(18)17-6-21-3-8(17)10(20)15-2-9(19)16(5-15)4-11(12,13)14/h8H,2-6H2,1H3.
What are the key properties of 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one?
1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one has a molecular weight of 325.31 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1,3-thiazolidine-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one is sourced from PubChem (CID 154795592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).