3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H11NO5S — CID 43097182

IUPAC3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11NO5S/c16-12(15-7-21-6-10(15)13(17)18)9-5-8-3-1-2-4-11(8)20-14(9)19/h1-5,10H,6-7H2,(H,17,18)
InChIKeyYOHCSZZYLFYLLC-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43097182) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43097182
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H11NO5S/c16-12(15-7-21-6-10(15)13(17)18)9-5-8-3-1-2-4-11(8)20-14(9)19/h1-5,10H,6-7H2,(H,17,18)
InChIKeyYOHCSZZYLFYLLC-UHFFFAOYSA-N
XLogP1.39
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43095251
3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
CID 110741146
2-oxochromene-3-carboxylic acid
CID 161011590
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
3-(2-methylpiperazine-1-carbonyl)chromen-2-one
CID 62672423
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
3-[4-(aminomethyl)-2-methylpyrrolidine-1-carbonyl]chromen-2-one
CID 115491991
3-[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359339

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43097182) is 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YOHCSZZYLFYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c16-12(15-7-21-6-10(15)13(17)18)9-5-8-3-1-2-4-11(8)20-14(9)19/h1-5,10H,6-7H2,(H,17,18).
What are the key properties of 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43097182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).