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

C20H14N2O2S2 — CID 46934279

IUPAC3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C20H14N2O2S2/c23-18-12-25-19(13-6-2-1-3-7-13)22(18)20-21-15(11-26-20)17-10-14-8-4-5-9-16(14)24-17/h1-11,19H,12H2
InChIKeyMQBGPJWRXYHSOB-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.33
Rot. Bonds3

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

3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 46934279) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID46934279
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC Name3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C20H14N2O2S2/c23-18-12-25-19(13-6-2-1-3-7-13)22(18)20-21-15(11-26-20)17-10-14-8-4-5-9-16(14)24-17/h1-11,19H,12H2
InChIKeyMQBGPJWRXYHSOB-UHFFFAOYSA-N
XLogP5.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 4241332
2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one
CID 10736357
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 3332829
2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 10457823
(2S)-1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-hydroxy-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134107872
3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 135419304
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
CID 4987872
2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 10254139
2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
CID 3614492
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (CID 46934279) is 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is MQBGPJWRXYHSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c23-18-12-25-19(13-6-2-1-3-7-13)22(18)20-21-15(11-26-20)17-10-14-8-4-5-9-16(14)24-17/h1-11,19H,12H2.
What are the key properties of 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46934279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).