5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H17N3O3S — CID 141191871

IUPAC5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCCn3cc4ccccc4n3)cc2)S1
InChIInChI=1S/C19H17N3O3S/c23-18-17(26-19(24)20-18)11-13-5-7-15(8-6-13)25-10-9-22-12-14-3-1-2-4-16(14)21-22/h1-8,12,17H,9-11H2,(H,20,23,24)
InChIKeyNNSMEEPYWMILBL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.01
Rot. Bonds6

About 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 141191871) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID141191871
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCCn3cc4ccccc4n3)cc2)S1
InChIInChI=1S/C19H17N3O3S/c23-18-17(26-19(24)20-18)11-13-5-7-15(8-6-13)25-10-9-22-12-14-3-1-2-4-16(14)21-22/h1-8,12,17H,9-11H2,(H,20,23,24)
InChIKeyNNSMEEPYWMILBL-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14301815
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
(5S)-5-[[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 136811211
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22118748
5-[[4-[(1-methyl-6-naphthalen-2-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 150398739
5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 127027660
5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546515
5-[[4-[2-(4-methyl-6-oxo-2-propylpyrimidin-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15490949

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 141191871) is 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCCn3cc4ccccc4n3)cc2)S1.
What is the InChIKey of 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NNSMEEPYWMILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-18-17(26-19(24)20-18)11-13-5-7-15(8-6-13)25-10-9-22-12-14-3-1-2-4-16(14)21-22/h1-8,12,17H,9-11H2,(H,20,23,24).
What are the key properties of 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 141191871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).