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

C20H24N2OS — CID 10246646

IUPAC2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H24N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h5-11,14,20H,4,12-13H2,1-3H3
InChIKeyFIMWQCSECIZRBG-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.54
Rot. Bonds5

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

2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 10246646) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID10246646
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCCc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H24N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h5-11,14,20H,4,12-13H2,1-3H3
InChIKeyFIMWQCSECIZRBG-UHFFFAOYSA-N
XLogP4.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 10246646) is 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CCc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is FIMWQCSECIZRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h5-11,14,20H,4,12-13H2,1-3H3.
What are the key properties of 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 340.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10246646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).