3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H13N3O3S — CID 43359231

IUPAC3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H13N3O3S/c18-13(17-9-21-7-12(17)14(19)20)11-6-15-8-16(11)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2,(H,19,20)
InChIKeyZCMNMIKJANUWDX-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.47
Rot. Bonds3

About 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359231) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359231
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C14H13N3O3S/c18-13(17-9-21-7-12(17)14(19)20)11-6-15-8-16(11)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2,(H,19,20)
InChIKeyZCMNMIKJANUWDX-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 13375478
3-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116447
3-(1-phenyltriazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359250
3-(1-cyclopropylpyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43639306
3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43664825
N'-acetyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-2-carbohydrazide
CID 127266581
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-phenylimidazol-4-yl)methanone
CID 97016712
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
3-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 139708433
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373
3-(5-fluoropyridine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104785479

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359231) is 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cncn1-c1ccccc1.
What is the InChIKey of 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZCMNMIKJANUWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c18-13(17-9-21-7-12(17)14(19)20)11-6-15-8-16(11)10-4-2-1-3-5-10/h1-6,8,12H,7,9H2,(H,19,20).
What are the key properties of 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).