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

C17H18N2O2S — CID 6925239

IUPAC(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)[C@@H](C)S[C@H]2c2cccnc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-16(20)19(11-13-5-7-15(21-2)8-6-13)17(22-12)14-4-3-9-18-10-14/h3-10,12,17H,11H2,1-2H3/t12-,17+/m1/s1
InChIKeyPTYKLCMHNIEMDM-PXAZEXFGSA-N
MW314.41 g/mol
LogP3.25
Rot. Bonds4

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

(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 6925239) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID6925239
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCOc1ccc(CN2C(=O)[C@@H](C)S[C@H]2c2cccnc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12-16(20)19(11-13-5-7-15(21-2)8-6-13)17(22-12)14-4-3-9-18-10-14/h3-10,12,17H,11H2,1-2H3/t12-,17+/m1/s1
InChIKeyPTYKLCMHNIEMDM-PXAZEXFGSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
3-(cyclohexylmethyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304136
(2S,5S)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562296
(2R,5R)-5-methyl-3-(naphthalen-2-ylmethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 124562295
3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2732509
(2R,5R)-3-(4-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925225
3-(3-chlorophenyl)-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304123
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592186
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
(3aR,7aR)-1-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97379309

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 6925239) is (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is COc1ccc(CN2C(=O)[C@@H](C)S[C@H]2c2cccnc2)cc1.
What is the InChIKey of (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is PTYKLCMHNIEMDM-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12-16(20)19(11-13-5-7-15(21-2)8-6-13)17(22-12)14-4-3-9-18-10-14/h3-10,12,17H,11H2,1-2H3/t12-,17+/m1/s1.
What are the key properties of (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-[(4-methoxyphenyl)methyl]-5-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6925239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).