3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

C17H17NOS — CID 3470012

IUPAC3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)17-18(16(19)12-20-17)11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyKCPNWAHYGWYZLC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.77
Rot. Bonds3

About 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3470012) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3470012
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)17-18(16(19)12-20-17)11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyKCPNWAHYGWYZLC-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Phenylmethyl)-2-thioxo-4-thiazolidinone
CID 97673
3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
Rhodanine, 3-(alpha-methylbenzyl)-
CID 99773
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
2-(benzylsulfanyl)-N-(4-methylbenzyl)acetamide
CID 817430
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
2-Methyl-4-(4-methylbenzyl)-3,5-thiomorpholinedione
CID 3817475
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 3470012) is 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KCPNWAHYGWYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)17-18(16(19)12-20-17)11-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 283.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3470012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).