3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C11H15N3O4S — CID 55235714

IUPAC3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-2-3-8-14(7(5-19-8)10(16)17)9(15)6-4-12-11(18)13-6/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyOWOHWIJMUCRGKH-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.47
Rot. Bonds4

About 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235714) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235714
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-2-3-8-14(7(5-19-8)10(16)17)9(15)6-4-12-11(18)13-6/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyOWOHWIJMUCRGKH-UHFFFAOYSA-N
XLogP0.47
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789012
(2S)-4-methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789014
(4R)-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28791273
3-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172216
4-Methylsulfanyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43210992
3-(2-Oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211293
2-ethyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236872
2-Ethyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55237650
2-[(1,1-Dioxothiolan-3-yl)-(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]acetic acid
CID 60845210
(4R)-3-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144976
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiolane-3-carboxylic acid
CID 61685721
3-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779599

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 55235714) is 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OWOHWIJMUCRGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-3-8-14(7(5-19-8)10(16)17)9(15)6-4-12-11(18)13-6/h4,7-8H,2-3,5H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).