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

C20H22N2OS — CID 10427267

IUPAC2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESC=Cc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/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/h4-11,14,20H,1,12-13H2,2-3H3
InChIKeyBOWVNNWSZXDPIT-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.62
Rot. Bonds5

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

2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 10427267) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID10427267
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESC=Cc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1
InChIInChI=1S/C20H22N2OS/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/h4-11,14,20H,1,12-13H2,2-3H3
InChIKeyBOWVNNWSZXDPIT-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 10427267) is 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is C=Cc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1.
What is the InChIKey of 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is BOWVNNWSZXDPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/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/h4-11,14,20H,1,12-13H2,2-3H3.
What are the key properties of 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 338.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethenylphenyl)-3-pyridinyl]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).