[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone

C21H19NO2S — CID 42665419

IUPAC[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C21H19NO2S/c1-15-7-12-19(24-15)21-22(13-14-25-21)20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3
InChIKeyHJCXBDIXYKGQRV-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.14
Rot. Bonds3

About [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone

[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 42665419) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
PubChem CID42665419
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C21H19NO2S/c1-15-7-12-19(24-15)21-22(13-14-25-21)20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3
InChIKeyHJCXBDIXYKGQRV-UHFFFAOYSA-N
XLogP5.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 42781149
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 42781148
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
(4-phenylphenyl)-(2-pyridin-3-yl-1,3-thiazolidin-3-yl)methanone
CID 4129927
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 46125574
(2S)-N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7362222
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone (CID 42665419) is [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone is Cc1ccc(C2SCCN2C(=O)c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is HJCXBDIXYKGQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-15-7-12-19(24-15)21-22(13-14-25-21)20(23)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-12,21H,13-14H2,1H3.
What are the key properties of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone?
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 349.46 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 42665419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).