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

C19H17N3O4S2 — CID 15288932

IUPAC5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cn1
InChIInChI=1S/C19H17N3O4S2/c1-11-13(21-18(26-11)14-3-2-8-27-14)6-7-25-16-5-4-12(10-20-16)9-15-17(23)22-19(24)28-15/h2-5,8,10,15H,6-7,9H2,1H3,(H,22,23,24)
InChIKeyJCUBMOOJUNCAHH-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.62
Rot. Bonds7

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

5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 15288932) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID15288932
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cn1
InChIInChI=1S/C19H17N3O4S2/c1-11-13(21-18(26-11)14-3-2-8-27-14)6-7-25-16-5-4-12(10-20-16)9-15-17(23)22-19(24)28-15/h2-5,8,10,15H,6-7,9H2,1H3,(H,22,23,24)
InChIKeyJCUBMOOJUNCAHH-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'}

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Related Compounds

5-[[4-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 10280122
5-[[4-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 59977660
5-[[4-[2-[2-(3,5-dimethyl-4-phosphanyloxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 59768061
(2S)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-phenoxypropanoic acid
CID 146675094
5-[[4-[(E)-N-hydroxy-C-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]carbonimidoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14456685
5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 15230440
2-methyl-2-(4-methylphenoxy)-3-[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 22340017
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 72731611
5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethylsulfonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751810
3-ethoxy-3-[4-[3-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)propoxy]phenyl]propanoic acid
CID 68883339
N-(6-methoxy-3-pyridinyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701834

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione (CID 15288932) is 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2cccs2)nc1CCOc1ccc(CC2SC(=O)NC2=O)cn1.
What is the InChIKey of 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is JCUBMOOJUNCAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-11-13(21-18(26-11)14-3-2-8-27-14)6-7-25-16-5-4-12(10-20-16)9-15-17(23)22-19(24)28-15/h2-5,8,10,15H,6-7,9H2,1H3,(H,22,23,24).
What are the key properties of 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-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 5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 15288932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).