2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one

C19H21NOS — CID 122329135

IUPAC2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOS/c1-2-17(15-9-5-3-6-10-15)18(21)20-13-14-22-19(20)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3
InChIKeyONKYPWGQSPCQSU-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.45
Rot. Bonds4

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

2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one (PubChem CID 122329135) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
PubChem CID122329135
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one
SMILESCCC(C(=O)N1CCSC1c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NOS/c1-2-17(15-9-5-3-6-10-15)18(21)20-13-14-22-19(20)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3
InChIKeyONKYPWGQSPCQSU-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one?
The IUPAC name of 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one (CID 122329135) is 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one.
What is the SMILES notation for 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one?
The canonical SMILES for 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one is CCC(C(=O)N1CCSC1c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one?
The InChIKey is ONKYPWGQSPCQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-2-17(15-9-5-3-6-10-15)18(21)20-13-14-22-19(20)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3.
What are the key properties of 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one?
2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one has a molecular weight of 311.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-phenyl-1,3-thiazolidin-3-yl)butan-1-one is sourced from PubChem (CID 122329135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).