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

C19H22N2OS — CID 10359035

IUPAC2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1-c1ccncc1C1SCC(=O)N1CC(C)C
InChIInChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-7-5-4-6-14(15)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyADRYKJDQMNSDJM-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.29
Rot. Bonds4

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

2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 10359035) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID10359035
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1-c1ccncc1C1SCC(=O)N1CC(C)C
InChIInChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-7-5-4-6-14(15)3/h4-10,13,19H,11-12H2,1-3H3
InChIKeyADRYKJDQMNSDJM-UHFFFAOYSA-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 ≤ 500326.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 10342500
2-(2-fluorophenyl)-3-(2-hydroxypropyl)-1,3-thiazolidin-4-one
CID 24712043
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
2-[4-[4-(2,2-difluoroethenyl)phenyl]-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;2-[4-[4-(1,2-dihydroxyethyl)phenyl]-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;2-[3-(4-ethenylphenyl)-2-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;2-[4-[4-(1-fluoroethenyl)phenyl]-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;2-[4-[4-(1-hydroxyethyl)phenyl]-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;2-[4-[4-(2-hydroxyethyl)phenyl]-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one;3-(2-methylpropyl)-2-[4-[4-(1,2,2-trifluoroethenyl)phenyl]-3-pyridinyl]-1,3-thiazolidin-4-one
CID 173243171
3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
CID 5195728
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-(2-methoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3520509
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
4-methyl-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]pentanoic acid
CID 42795852
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 10359035) is 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is Cc1ccccc1-c1ccncc1C1SCC(=O)N1CC(C)C.
What is the InChIKey of 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is ADRYKJDQMNSDJM-UHFFFAOYSA-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)15-7-5-4-6-14(15)3/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 326.46 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 2-[4-(2-methylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10359035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).