4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione

C19H17N3O4S2 — CID 18989567

IUPAC4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(CC2NC(=O)SC2=O)cn1
InChIInChI=1S/C19H17N3O4S2/c1-11-13(21-17(26-11)15-3-2-8-27-15)6-7-25-16-5-4-12(10-20-16)9-14-18(23)28-19(24)22-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,22,24)
InChIKeyBCQDFOIATKXBKJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.62
Rot. Bonds7

About 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione

4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 18989567) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID18989567
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(CC2NC(=O)SC2=O)cn1
InChIInChI=1S/C19H17N3O4S2/c1-11-13(21-17(26-11)15-3-2-8-27-15)6-7-25-16-5-4-12(10-20-16)9-14-18(23)28-19(24)22-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,22,24)
InChIKeyBCQDFOIATKXBKJ-UHFFFAOYSA-N
XLogP3.62
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione (CID 18989567) is 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione is Cc1oc(-c2cccs2)nc1CCOc1ccc(CC2NC(=O)SC2=O)cn1.
What is the InChIKey of 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is BCQDFOIATKXBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-11-13(21-17(26-11)15-3-2-8-27-15)6-7-25-16-5-4-12(10-20-16)9-14-18(23)28-19(24)22-14/h2-5,8,10,14H,6-7,9H2,1H3,(H,22,24).
What are the key properties of 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 415.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18989567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).