(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

C19H23N3O3S — CID 25072171

IUPAC(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CCOc1ccc([C@@H]2NC(C(=O)O)CS2)cc1)c1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)18-21-16(13-26-18)19(23)24/h3-10,16,18,21H,2,11-13H2,1H3,(H,23,24)/t16?,18-/m1/s1
InChIKeyNYYTZUYZEULVLP-UHUGOGIASA-N
MW373.48 g/mol
LogP2.78
Rot. Bonds8

About (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 25072171) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID25072171
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CCOc1ccc([C@@H]2NC(C(=O)O)CS2)cc1)c1ccccn1
InChIInChI=1S/C19H23N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)18-21-16(13-26-18)19(23)24/h3-10,16,18,21H,2,11-13H2,1H3,(H,23,24)/t16?,18-/m1/s1
InChIKeyNYYTZUYZEULVLP-UHUGOGIASA-N
XLogP2.78
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 25072171) is (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is CCN(CCOc1ccc([C@@H]2NC(C(=O)O)CS2)cc1)c1ccccn1.
What is the InChIKey of (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NYYTZUYZEULVLP-UHUGOGIASA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-22(17-5-3-4-10-20-17)11-12-25-15-8-6-14(7-9-15)18-21-16(13-26-18)19(23)24/h3-10,16,18,21H,2,11-13H2,1H3,(H,23,24)/t16?,18-/m1/s1.
What are the key properties of (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 373.48 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-[ethyl(pyridin-2-yl)amino]ethoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 25072171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).