3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one

C15H21NOS — CID 5195728

IUPAC3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1C(C)c1ccccc1
InChIInChI=1S/C15H21NOS/c1-11(2)9-16-14(17)10-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyRNJUCFLYVBWGOU-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one

3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one (PubChem CID 5195728) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
PubChem CID5195728
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)CSC1C(C)c1ccccc1
InChIInChI=1S/C15H21NOS/c1-11(2)9-16-14(17)10-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3
InChIKeyRNJUCFLYVBWGOU-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one (CID 5195728) is 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)CSC1C(C)c1ccccc1.
What is the InChIKey of 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one?
The InChIKey is RNJUCFLYVBWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)9-16-14(17)10-18-15(16)12(3)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3.
What are the key properties of 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one?
3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one has a molecular weight of 263.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5195728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).