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

C14H11NO5S — CID 43095251

IUPAC3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H11NO5S/c16-10-5-12(20-11-4-2-1-3-8(10)11)13(17)15-7-21-6-9(15)14(18)19/h1-5,9H,6-7H2,(H,18,19)
InChIKeyZXUOGIRXDFVZQV-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.39
Rot. Bonds2

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

3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43095251) has the molecular formula C14H11NO5S and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43095251
Molecular FormulaC14H11NO5S
Molecular Weight305.31 g/mol
Exact Mass305.04
IUPAC Name3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H11NO5S/c16-10-5-12(20-11-4-2-1-3-8(10)11)13(17)15-7-21-6-9(15)14(18)19/h1-5,9H,6-7H2,(H,18,19)
InChIKeyZXUOGIRXDFVZQV-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

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Related Compounds

1-(4-oxochromene-2-carbonyl)piperidine-2-carboxylic acid
CID 119137743
3-(2-oxochromene-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43097182
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
2-[(2S)-2-propyl-1,3-thiazolidine-3-carbonyl]chromen-4-one
CID 97098180
2-(2-propyl-1,3-thiazolidine-3-carbonyl)chromen-4-one
CID 71875375
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
(4R)-3-(3-chloro-1-benzothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143585
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
2-(1,1-dioxo-7-phenyl-1,4-thiazepane-4-carbonyl)chromen-4-one
CID 121191939
3-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172110

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 43095251) is 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZXUOGIRXDFVZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5S/c16-10-5-12(20-11-4-2-1-3-8(10)11)13(17)15-7-21-6-9(15)14(18)19/h1-5,9H,6-7H2,(H,18,19).
What are the key properties of 3-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(4-oxochromene-2-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-(4-oxochromene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43095251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).