3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

C18H20N2OS — CID 2731891

IUPAC3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(N2C(=O)CSC2c2cccnc2)cc1
InChIInChI=1S/C18H20N2OS/c1-18(2,3)14-6-8-15(9-7-14)20-16(21)12-22-17(20)13-5-4-10-19-11-13/h4-11,17H,12H2,1-3H3
InChIKeyQFTXYQMEDDHYRK-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.16
Rot. Bonds2

About 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one

3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (PubChem CID 2731891) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
PubChem CID2731891
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(N2C(=O)CSC2c2cccnc2)cc1
InChIInChI=1S/C18H20N2OS/c1-18(2,3)14-6-8-15(9-7-14)20-16(21)12-22-17(20)13-5-4-10-19-11-13/h4-11,17H,12H2,1-3H3
InChIKeyQFTXYQMEDDHYRK-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one (CID 2731891) is 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(N2C(=O)CSC2c2cccnc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
The InChIKey is QFTXYQMEDDHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-18(2,3)14-6-8-15(9-7-14)20-16(21)12-22-17(20)13-5-4-10-19-11-13/h4-11,17H,12H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one?
3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one has a molecular weight of 312.44 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2731891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).