5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C23H23N3O3S2 — CID 10321686

IUPAC5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C23H23N3O3S2/c1-15-20(17-6-4-3-5-7-17)31-22(24-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)30-19/h3-11,19H,12-14H2,1-2H3,(H,25,27,28)
InChIKeyDNUYBQMDVVUOCO-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.53
Rot. Bonds8

About 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10321686) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10321686
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC Name5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1-c1ccccc1
InChIInChI=1S/C23H23N3O3S2/c1-15-20(17-6-4-3-5-7-17)31-22(24-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)30-19/h3-11,19H,12-14H2,1-2H3,(H,25,27,28)
InChIKeyDNUYBQMDVVUOCO-UHFFFAOYSA-N
XLogP4.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10321686) is 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1nc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)sc1-c1ccccc1.
What is the InChIKey of 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DNUYBQMDVVUOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-15-20(17-6-4-3-5-7-17)31-22(24-15)26(2)12-13-29-18-10-8-16(9-11-18)14-19-21(27)25-23(28)30-19/h3-11,19H,12-14H2,1-2H3,(H,25,27,28).
What are the key properties of 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 453.59 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[methyl-(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10321686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).