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

C16H17NO2S — CID 42781149

IUPAC[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2C)o1
InChIInChI=1S/C16H17NO2S/c1-11-5-3-4-6-13(11)15(18)17-9-10-20-16(17)14-8-7-12(2)19-14/h3-8,16H,9-10H2,1-2H3
InChIKeyISGUQSZLOBGWHU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.78
Rot. Bonds2

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

[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (PubChem CID 42781149) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
PubChem CID42781149
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccc(C2SCCN2C(=O)c2ccccc2C)o1
InChIInChI=1S/C16H17NO2S/c1-11-5-3-4-6-13(11)15(18)17-9-10-20-16(17)14-8-7-12(2)19-14/h3-8,16H,9-10H2,1-2H3
InChIKeyISGUQSZLOBGWHU-UHFFFAOYSA-N
XLogP3.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 42665419
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 42781148
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
(2S)-N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7362222
N-(2,6-dichlorophenyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidine-3-carboxamide
CID 46125574
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
(2-chlorophenyl)-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7397507
(2-fluorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331527
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (CID 42781149) is [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone is Cc1ccc(C2SCCN2C(=O)c2ccccc2C)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The InChIKey is ISGUQSZLOBGWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-5-3-4-6-13(11)15(18)17-9-10-20-16(17)14-8-7-12(2)19-14/h3-8,16H,9-10H2,1-2H3.
What are the key properties of [2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.78, 2 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]-(2-methylphenyl)methanone is sourced from PubChem (CID 42781149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).