(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

C10H12N2OS — CID 14649075

IUPAC(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C10H12N2OS/c1-7-9(13)12(2)10(14-7)8-4-3-5-11-6-8/h3-7,10H,1-2H3/t7-,10-/m1/s1
InChIKeyFZXAQGVGSAANBR-GMSGAONNSA-N
MW208.29 g/mol
LogP1.67
Rot. Bonds1

About (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one

(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 14649075) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID14649075
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESC[C@H]1S[C@H](c2cccnc2)N(C)C1=O
InChIInChI=1S/C10H12N2OS/c1-7-9(13)12(2)10(14-7)8-4-3-5-11-6-8/h3-7,10H,1-2H3/t7-,10-/m1/s1
InChIKeyFZXAQGVGSAANBR-GMSGAONNSA-N
XLogP1.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 14649075) is (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is C[C@H]1S[C@H](c2cccnc2)N(C)C1=O.
What is the InChIKey of (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is FZXAQGVGSAANBR-GMSGAONNSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-7-9(13)12(2)10(14-7)8-4-3-5-11-6-8/h3-7,10H,1-2H3/t7-,10-/m1/s1.
What are the key properties of (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one?
(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 14649075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).