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

C10H13NO2S — CID 42781148

IUPAC1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccc(C)o1
InChIInChI=1S/C10H13NO2S/c1-7-3-4-9(13-7)10-11(8(2)12)5-6-14-10/h3-4,10H,5-6H2,1-2H3
InChIKeyRCRGRIFYNZUJSI-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.18
Rot. Bonds1

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

1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 42781148) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID42781148
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CCSC1c1ccc(C)o1
InChIInChI=1S/C10H13NO2S/c1-7-3-4-9(13-7)10-11(8(2)12)5-6-14-10/h3-4,10H,5-6H2,1-2H3
InChIKeyRCRGRIFYNZUJSI-UHFFFAOYSA-N
XLogP2.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.18
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
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 42665419
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
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7418795
cyclopentyl-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7237681
(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
CID 96517564
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one
CID 3790416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone (CID 42781148) is 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CCSC1c1ccc(C)o1.
What is the InChIKey of 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is RCRGRIFYNZUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-3-4-9(13-7)10-11(8(2)12)5-6-14-10/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone?
1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 42781148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).