(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one

C21H19NOS — CID 124562296

IUPAC(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1S[C@@H](c2ccccc2)N(Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C21H19NOS/c1-15-20(23)22(21(24-15)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3/t15-,21-/m0/s1
InChIKeyZWWWSZDGYJDZOJ-BTYIYWSLSA-N
MW333.46 g/mol
LogP5.00
Rot. Bonds3

About (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one

(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 124562296) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID124562296
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESC[C@@H]1S[C@@H](c2ccccc2)N(Cc2ccc3ccccc3c2)C1=O
InChIInChI=1S/C21H19NOS/c1-15-20(23)22(21(24-15)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3/t15-,21-/m0/s1
InChIKeyZWWWSZDGYJDZOJ-BTYIYWSLSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295
(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925239
2-(2,6-dimethoxyphenyl)-5-methyl-3-[(1-methylindol-6-yl)methyl]-1,3-thiazolidin-4-one
CID 87150757
(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 142628164
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67094985
2-chloro-N-[3-[(2S,5R)-3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 41259485
3-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-5-phenylimidazolidine-2,4-dione
CID 154863473
(2R,5R)-5-methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1377930
(3S)-1-hydroxy-4-(naphthalen-2-ylmethyl)-3-propan-2-yl-3H-quinoxalin-2-one
CID 69303892
2-(2,6-difluorophenyl)-3-(naphthalen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 87150899
1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 118546703
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one (CID 124562296) is (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one is C[C@@H]1S[C@@H](c2ccccc2)N(Cc2ccc3ccccc3c2)C1=O.
What is the InChIKey of (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is ZWWWSZDGYJDZOJ-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H19NOS/c1-15-20(23)22(21(24-15)18-8-3-2-4-9-18)14-16-11-12-17-7-5-6-10-19(17)13-16/h2-13,15,21H,14H2,1H3/t15-,21-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 333.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 124562296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).