1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone

C11H13NOS — CID 3050895

IUPAC1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C11H13NOS/c1-9(13)12-7-8-14-11(12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyYCXMWRGWKQQFNR-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.28
Rot. Bonds1

About 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone

1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone (PubChem CID 3050895) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone
PubChem CID3050895
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone
SMILESCC(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C11H13NOS/c1-9(13)12-7-8-14-11(12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyYCXMWRGWKQQFNR-UHFFFAOYSA-N
XLogP2.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
1-Benzyl-3-pyrrolidone
CID 79176
3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Phenethyl-2-thioxothiazolidin-4-one
CID 199253
2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
Rhodanine, 3-(alpha-methylbenzyl)-
CID 99773
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
CID 3817475
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
2-Benzyl-isothiazol-3-one
CID 647455
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone (CID 3050895) is 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone is CC(=O)N1CCSC1c1ccccc1.
What is the InChIKey of 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is YCXMWRGWKQQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-9(13)12-7-8-14-11(12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone?
1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 207.30 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 3050895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).