(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

C12H15NOS — CID 10421066

IUPAC(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@@H]2S[C@@H](C)C(=O)N2C)cc1
InChIInChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)12-13(3)11(14)9(2)15-12/h4-7,9,12H,1-3H3/t9-,12-/m0/s1
InChIKeyLNQMTPZVKXMNPQ-CABZTGNLSA-N
MW221.32 g/mol
LogP2.59
Rot. Bonds1

About (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one

(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 10421066) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID10421066
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc([C@@H]2S[C@@H](C)C(=O)N2C)cc1
InChIInChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)12-13(3)11(14)9(2)15-12/h4-7,9,12H,1-3H3/t9-,12-/m0/s1
InChIKeyLNQMTPZVKXMNPQ-CABZTGNLSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
CID 68742071
3,5-dimethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83260782
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
2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814135
3-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazolidin-2-one
CID 174527586
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
4-methyl-5-(4-methylphenyl)-1,3-thiazolidin-2-one
CID 13092662
5-methyl-3-[3-(methylamino)propyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 42795822
(2R,5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 27566730
(2R,6R)-2,6-bis(4-methylphenyl)thian-4-one
CID 763702
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 10421066) is (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc([C@@H]2S[C@@H](C)C(=O)N2C)cc1.
What is the InChIKey of (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LNQMTPZVKXMNPQ-CABZTGNLSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-4-6-10(7-5-8)12-13(3)11(14)9(2)15-12/h4-7,9,12H,1-3H3/t9-,12-/m0/s1.
What are the key properties of (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one?
(2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 221.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3,5-dimethyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10421066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).