2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

C14H18N2O3S — CID 63780136

IUPAC2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)Cc1ccncc1
InChIInChI=1S/C14H18N2O3S/c1-9(2)13-16(11(8-20-13)14(18)19)12(17)7-10-3-5-15-6-4-10/h3-6,9,11,13H,7-8H2,1-2H3,(H,18,19)
InChIKeyGQHIZYDLJBXVEL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.63
Rot. Bonds4

About 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780136) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780136
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)Cc1ccncc1
InChIInChI=1S/C14H18N2O3S/c1-9(2)13-16(11(8-20-13)14(18)19)12(17)7-10-3-5-15-6-4-10/h3-6,9,11,13H,7-8H2,1-2H3,(H,18,19)
InChIKeyGQHIZYDLJBXVEL-UHFFFAOYSA-N
XLogP1.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780136) is 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)Cc1ccncc1.
What is the InChIKey of 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQHIZYDLJBXVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9(2)13-16(11(8-20-13)14(18)19)12(17)7-10-3-5-15-6-4-10/h3-6,9,11,13H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(2-pyridin-4-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).