(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one

C15H16N2OS2 — CID 71582758

IUPAC(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(C)s2)n1
InChIInChI=1S/C15H16N2OS2/c1-9-5-4-6-13(16-9)17-14(18)11(3)20-15(17)12-8-7-10(2)19-12/h4-8,11,15H,1-3H3/t11-,15+/m1/s1
InChIKeyDFQRCFSFMYMYBF-ABAIWWIYSA-N
MW304.44 g/mol
LogP3.93
Rot. Bonds2

About (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one

(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 71582758) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID71582758
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(C)s2)n1
InChIInChI=1S/C15H16N2OS2/c1-9-5-4-6-13(16-9)17-14(18)11(3)20-15(17)12-8-7-10(2)19-12/h4-8,11,15H,1-3H3/t11-,15+/m1/s1
InChIKeyDFQRCFSFMYMYBF-ABAIWWIYSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

N-(6-methylpyridin-2-yl)thiophene-2-carboxamide
CID 573775
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
Thiazolidin-based CA inhibitor, 6a
CID 71582747
N-(6-methyl-2-pyridinyl)-3-(2-thienyl)acrylamide
CID 903282
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2158847
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide
CID 50940979
Thiazolidin-based CA inhibitor, 1
CID 129012671
Thiazolidin-based CA inhibitor, 2
CID 129012672
Thiazolidin-based CA inhibitor, 3
CID 129012673
Thiazolidin-based CA inhibitor, 4
CID 129012674
Thiazolidin-based CA inhibitor, 5a
CID 129012675
Thiazolidin-based CA inhibitor, 5b
CID 129012676

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 71582758) is (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)[C@@H](C)S[C@H]2c2ccc(C)s2)n1.
What is the InChIKey of (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is DFQRCFSFMYMYBF-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-9-5-4-6-13(16-9)17-14(18)11(3)20-15(17)12-8-7-10(2)19-12/h4-8,11,15H,1-3H3/t11-,15+/m1/s1.
What are the key properties of (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
(2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71582758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).