2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

C18H19NO2S — CID 122329128

IUPAC2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C18H19NO2S/c1-14(21-16-10-6-3-7-11-16)17(20)19-12-13-22-18(19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKeyUSKXRSPIXUGDRX-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.73
Rot. Bonds4

About 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one

2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 122329128) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
PubChem CID122329128
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCSC1c1ccccc1
InChIInChI=1S/C18H19NO2S/c1-14(21-16-10-6-3-7-11-16)17(20)19-12-13-22-18(19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3
InChIKeyUSKXRSPIXUGDRX-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one (CID 122329128) is 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is CC(Oc1ccccc1)C(=O)N1CCSC1c1ccccc1.
What is the InChIKey of 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is USKXRSPIXUGDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-14(21-16-10-6-3-7-11-16)17(20)19-12-13-22-18(19)15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3.
What are the key properties of 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one?
2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 313.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 122329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).