N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide

C14H18N2O2S2 — CID 3398219

IUPACN-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCSc1ccc(C2SCC(=O)N2CCNC(C)=O)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)15-7-8-16-13(18)9-20-14(16)11-3-5-12(19-2)6-4-11/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyOSDLRNRUHREDQL-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.12
Rot. Bonds5

About N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide

N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide (PubChem CID 3398219) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
PubChem CID3398219
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESCSc1ccc(C2SCC(=O)N2CCNC(C)=O)cc1
InChIInChI=1S/C14H18N2O2S2/c1-10(17)15-7-8-16-13(18)9-20-14(16)11-3-5-12(19-2)6-4-11/h3-6,14H,7-9H2,1-2H3,(H,15,17)
InChIKeyOSDLRNRUHREDQL-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide (CID 3398219) is N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide is CSc1ccc(C2SCC(=O)N2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The InChIKey is OSDLRNRUHREDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10(17)15-7-8-16-13(18)9-20-14(16)11-3-5-12(19-2)6-4-11/h3-6,14H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 3398219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).