(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one

C17H17NOS — CID 95402321

IUPAC(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3/t17-/m0/s1
InChIKeyJGKHIVYGMXEWOF-KRWDZBQOSA-N
MW283.40 g/mol
LogP4.03
Rot. Bonds3

About (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 95402321) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID95402321
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3/t17-/m0/s1
InChIKeyJGKHIVYGMXEWOF-KRWDZBQOSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 11842543
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
3-[4-(imidazol-1-ylmethyl)phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 102288238
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methoxyacetamide
CID 42805294
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 95402321) is (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one is CCc1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JGKHIVYGMXEWOF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-13-8-10-15(11-9-13)18-16(19)12-20-17(18)14-6-4-3-5-7-14/h3-11,17H,2,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 283.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 95402321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).