2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one

C10H10ClNOS — CID 2840110

IUPAC2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C10H10ClNOS/c1-6-9(13)12-10(14-6)7-3-2-4-8(11)5-7/h2-6,10H,1H3,(H,12,13)
InChIKeyDSDPWHIBVHAATJ-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.59
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 2840110) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID2840110
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C10H10ClNOS/c1-6-9(13)12-10(14-6)7-3-2-4-8(11)5-7/h2-6,10H,1H3,(H,12,13)
InChIKeyDSDPWHIBVHAATJ-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one (CID 2840110) is 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one is CC1SC(c2cccc(Cl)c2)NC1=O.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is DSDPWHIBVHAATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-6-9(13)12-10(14-6)7-3-2-4-8(11)5-7/h2-6,10H,1H3,(H,12,13).
What are the key properties of 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 227.72 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).