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

C11H13N3O4S — CID 63781287

IUPAC2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O4S/c15-8(6-3-12-11(18)13-6)14-7(10(16)17)4-19-9(14)5-1-2-5/h3,5,7,9H,1-2,4H2,(H,16,17)(H2,12,13,18)
InChIKeyGTEAVMJYHZCCPM-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.08
Rot. Bonds3

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

2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781287) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781287
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O4S/c15-8(6-3-12-11(18)13-6)14-7(10(16)17)4-19-9(14)5-1-2-5/h3,5,7,9H,1-2,4H2,(H,16,17)(H2,12,13,18)
InChIKeyGTEAVMJYHZCCPM-UHFFFAOYSA-N
XLogP0.08
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63781287) is 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GTEAVMJYHZCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c15-8(6-3-12-11(18)13-6)14-7(10(16)17)4-19-9(14)5-1-2-5/h3,5,7,9H,1-2,4H2,(H,16,17)(H2,12,13,18).
What are the key properties of 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).