(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C19H22N2OS — CID 16659193

IUPAC(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccncc2[C@H]2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3/t19-/m1/s1
InChIKeyHVCMFCYIEDMYJS-LJQANCHMSA-N
MW326.47 g/mol
LogP4.29
Rot. Bonds4

About (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 16659193) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID16659193
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccncc2[C@H]2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3/t19-/m1/s1
InChIKeyHVCMFCYIEDMYJS-LJQANCHMSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
3-[4-(Tert-butyl)phenyl]-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731891
3-(Cyclopropylmethyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2732306
ST085749
CID 317081
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
N-(4-isopropylphenyl)-2-((2-oxo-1-(pyridin-3-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032798
3-Benzyl-5-(4-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1940966
3-(3,5-Dimethylphenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4248964
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 4878299
2-[4-(4-Bromophenyl)pyridin-3-yl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 3699946
3-(4-Fluorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 5080345

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 16659193) is (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is Cc1ccc(-c2ccncc2[C@H]2SCC(=O)N2CC(C)C)cc1.
What is the InChIKey of (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is HVCMFCYIEDMYJS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 326.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).