3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid

C15H19NO4S — CID 82186770

IUPAC3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)C(O)C(N1CSCC1C(=O)O)CO2
InChIInChI=1S/C15H19NO4S/c1-8-3-9(2)14-10(4-8)13(17)11(5-20-14)16-7-21-6-12(16)15(18)19/h3-4,11-13,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyUAZHDZLGAOEFAP-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.56
Rot. Bonds2

About 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid

3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 82186770) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID82186770
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cc(C)c2c(c1)C(O)C(N1CSCC1C(=O)O)CO2
InChIInChI=1S/C15H19NO4S/c1-8-3-9(2)14-10(4-8)13(17)11(5-20-14)16-7-21-6-12(16)15(18)19/h3-4,11-13,17H,5-7H2,1-2H3,(H,18,19)
InChIKeyUAZHDZLGAOEFAP-UHFFFAOYSA-N
XLogP1.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid (CID 82186770) is 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid is Cc1cc(C)c2c(c1)C(O)C(N1CSCC1C(=O)O)CO2.
What is the InChIKey of 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UAZHDZLGAOEFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-8-3-9(2)14-10(4-8)13(17)11(5-20-14)16-7-21-6-12(16)15(18)19/h3-4,11-13,17H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid?
3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-6,8-dimethyl-3,4-dihydro-2H-chromen-3-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 82186770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).