3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one

C20H18N2O2S2 — CID 71454725

IUPAC3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C20H18N2O2S2/c1-13-18(26-19(21-13)14-6-4-3-5-7-14)20-22(17(23)12-25-20)15-8-10-16(24-2)11-9-15/h3-11,20H,12H2,1-2H3
InChIKeyATFWKQBZARIEDR-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.91
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one

3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 71454725) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID71454725
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C20H18N2O2S2/c1-13-18(26-19(21-13)14-6-4-3-5-7-14)20-22(17(23)12-25-20)15-8-10-16(24-2)11-9-15/h3-11,20H,12H2,1-2H3
InChIKeyATFWKQBZARIEDR-UHFFFAOYSA-N
XLogP4.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one (CID 71454725) is 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is ATFWKQBZARIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-13-18(26-19(21-13)14-6-4-3-5-7-14)20-22(17(23)12-25-20)15-8-10-16(24-2)11-9-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 382.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71454725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).