1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone

C14H19NO3S2 — CID 67897464

IUPAC1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)N1CCSC1CCc1ccccc1O
InChIInChI=1S/C14H19NO3S2/c1-20(18)10-13(17)15-8-9-19-14(15)7-6-11-4-2-3-5-12(11)16/h2-5,14,16H,6-10H2,1H3
InChIKeySVHUSQNOBABHNV-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone

1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone (PubChem CID 67897464) has the molecular formula C14H19NO3S2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
PubChem CID67897464
Molecular FormulaC14H19NO3S2
Molecular Weight313.44 g/mol
Exact Mass313.08
IUPAC Name1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone
SMILESCS(=O)CC(=O)N1CCSC1CCc1ccccc1O
InChIInChI=1S/C14H19NO3S2/c1-20(18)10-13(17)15-8-9-19-14(15)7-6-11-4-2-3-5-12(11)16/h2-5,14,16H,6-10H2,1H3
InChIKeySVHUSQNOBABHNV-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The IUPAC name of 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone (CID 67897464) is 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone.
What is the SMILES notation for 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The canonical SMILES for 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone is CS(=O)CC(=O)N1CCSC1CCc1ccccc1O.
What is the InChIKey of 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
The InChIKey is SVHUSQNOBABHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S2/c1-20(18)10-13(17)15-8-9-19-14(15)7-6-11-4-2-3-5-12(11)16/h2-5,14,16H,6-10H2,1H3.
What are the key properties of 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone?
1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone has a molecular weight of 313.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidin-3-yl]-2-methylsulfinylethanone is sourced from PubChem (CID 67897464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).