1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid

C10H15N3O4S — CID 107495937

IUPAC1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid
SMILESCC1CN(CCn2cnc(C(=O)O)c2)S(=O)(=O)C1
InChIInChI=1S/C10H15N3O4S/c1-8-4-13(18(16,17)6-8)3-2-12-5-9(10(14)15)11-7-12/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyCUMIPICQKUKJHB-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.14
Rot. Bonds4

About 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid

1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid (PubChem CID 107495937) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid
PubChem CID107495937
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid
SMILESCC1CN(CCn2cnc(C(=O)O)c2)S(=O)(=O)C1
InChIInChI=1S/C10H15N3O4S/c1-8-4-13(18(16,17)6-8)3-2-12-5-9(10(14)15)11-7-12/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyCUMIPICQKUKJHB-UHFFFAOYSA-N
XLogP-0.14
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid (CID 107495937) is 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid is CC1CN(CCn2cnc(C(=O)O)c2)S(=O)(=O)C1.
What is the InChIKey of 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid?
The InChIKey is CUMIPICQKUKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-8-4-13(18(16,17)6-8)3-2-12-5-9(10(14)15)11-7-12/h5,7-8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid?
1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107495937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).