5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid

C19H20N2O8S2 — CID 53354440

IUPAC5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
SMILESCCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.O=S(=O)(O)O
InChIInChI=1S/C19H18N2O4S.H2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;1-5(2,3)4/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);(H2,1,2,3,4)
InChIKeyZAQBQXQEWVKYJO-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.15
Rot. Bonds7

About 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid

5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid (PubChem CID 53354440) has the molecular formula C19H20N2O8S2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid.

Molecular Properties

Compound Name5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
PubChem CID53354440
Molecular FormulaC19H20N2O8S2
Molecular Weight468.51 g/mol
Exact Mass468.07
IUPAC Name5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
SMILESCCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.O=S(=O)(O)O
InChIInChI=1S/C19H18N2O4S.H2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;1-5(2,3)4/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);(H2,1,2,3,4)
InChIKeyZAQBQXQEWVKYJO-UHFFFAOYSA-N
XLogP2.15
TPSA159.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Pioglitazone
CID 4829
Pioglitazone Hydrochloride
CID 60560
Leriglitazone
CID 4147757
Mitoglitazone
CID 10429242
Carboxy Pioglitazone (M-V)
CID 10068721
Pioglitazone, (S)-
CID 29010893
(5Z)-5-[[4-(2-pyridin-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 15717185
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651402
(Z)-5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CID 10937126
5-(4-(2-(5-Ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione
CID 53394892
5-(4-(2-(5-Ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione
CID 9864268
Deuteropioglitazone, (5R)-
CID 49835993

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid (CID 53354440) is 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid.
What is the SMILES notation for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid is CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.O=S(=O)(O)O.
What is the InChIKey of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
The InChIKey is ZAQBQXQEWVKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S.H2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17;1-5(2,3)4/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24);(H2,1,2,3,4).
What are the key properties of 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid?
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid has a molecular weight of 468.51 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid is sourced from PubChem (CID 53354440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).