3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C14H16N2O4S — CID 62365751

IUPAC3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H16N2O4S/c17-13(18)11-7-21-8-16(11)14(19)15-10-5-6-20-12-4-2-1-3-9(10)12/h1-4,10-11H,5-8H2,(H,15,19)(H,17,18)
InChIKeyJUPXHWLXLQKTIW-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.68
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62365751) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62365751
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NC1CCOc2ccccc21
InChIInChI=1S/C14H16N2O4S/c17-13(18)11-7-21-8-16(11)14(19)15-10-5-6-20-12-4-2-1-3-9(10)12/h1-4,10-11H,5-8H2,(H,15,19)(H,17,18)
InChIKeyJUPXHWLXLQKTIW-UHFFFAOYSA-N
XLogP1.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62317267
(2R)-1-[2-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 124703387
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43709570
phenyl N-(3,4-dihydro-2H-chromen-4-yl)carbamate
CID 60655546
(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95332286
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110866329
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 62365751) is 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JUPXHWLXLQKTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-13(18)11-7-21-8-16(11)14(19)15-10-5-6-20-12-4-2-1-3-9(10)12/h1-4,10-11H,5-8H2,(H,15,19)(H,17,18).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62365751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).