2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C21H21N3O2S2 — CID 4241332

IUPAC2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2csc(N3C(=O)CSC3c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-23(2)16-8-4-15(5-9-16)20-24(19(25)13-27-20)21-22-18(12-28-21)14-6-10-17(26-3)11-7-14/h4-12,20H,13H2,1-3H3
InChIKeyHFCZRGGVGUGMRO-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.66
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 4241332) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID4241332
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC Name2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2csc(N3C(=O)CSC3c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2S2/c1-23(2)16-8-4-15(5-9-16)20-24(19(25)13-27-20)21-22-18(12-28-21)14-6-10-17(26-3)11-7-14/h4-12,20H,13H2,1-3H3
InChIKeyHFCZRGGVGUGMRO-UHFFFAOYSA-N
XLogP4.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 4241332) is 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is COc1ccc(-c2csc(N3C(=O)CSC3c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is HFCZRGGVGUGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-23(2)16-8-4-15(5-9-16)20-24(19(25)13-27-20)21-22-18(12-28-21)14-6-10-17(26-3)11-7-14/h4-12,20H,13H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 411.55 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4241332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).