(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C13H18N2OS — CID 131845439

IUPAC(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC(C)C[C@@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C13H18N2OS/c1-9(2)7-11-12(16)15(3)13(17-11)10-5-4-6-14-8-10/h4-6,8-9,11,13H,7H2,1-3H3/t11-,13+/m0/s1
InChIKeyBKTUZXWUMZIQIN-WCQYABFASA-N
MW250.37 g/mol
LogP2.70
Rot. Bonds3

About (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 131845439) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID131845439
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC(C)C[C@@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C13H18N2OS/c1-9(2)7-11-12(16)15(3)13(17-11)10-5-4-6-14-8-10/h4-6,8-9,11,13H,7H2,1-3H3/t11-,13+/m0/s1
InChIKeyBKTUZXWUMZIQIN-WCQYABFASA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-5-ethyl-3-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15731935
(2R,5R)-3-methyl-5-octyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 14649209
3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15171473
(3S)-3-(2-methylpropyl)-6-pyridin-3-ylpiperazine-2,5-dione
CID 155955747
4-chloro-3-methyl-2-pyridin-3-yl-2H-1,3-thiazole
CID 174859907
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304136
(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925225
3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732509
(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925239
3-(3-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304123
(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl)methyl methanesulfonate
CID 10334069

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 131845439) is (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is CC(C)C[C@@H]1S[C@H](c2cccnc2)N(C)C1=O.
What is the InChIKey of (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is BKTUZXWUMZIQIN-WCQYABFASA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(2)7-11-12(16)15(3)13(17-11)10-5-4-6-14-8-10/h4-6,8-9,11,13H,7H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 250.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 131845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).