phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone

C21H18N2OS — CID 67898559

IUPACphenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCSC1(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18N2OS/c24-20(17-9-3-1-4-10-17)23-15-16-25-21(23,18-11-5-2-6-12-18)19-13-7-8-14-22-19/h1-14H,15-16H2
InChIKeyUZWYEYVJBSZRTG-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.17
Rot. Bonds3

About phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone

phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone (PubChem CID 67898559) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
PubChem CID67898559
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Namephenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCSC1(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18N2OS/c24-20(17-9-3-1-4-10-17)23-15-16-25-21(23,18-11-5-2-6-12-18)19-13-7-8-14-22-19/h1-14H,15-16H2
InChIKeyUZWYEYVJBSZRTG-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone (CID 67898559) is phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone is O=C(c1ccccc1)N1CCSC1(c1ccccc1)c1ccccn1.
What is the InChIKey of phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone?
The InChIKey is UZWYEYVJBSZRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-20(17-9-3-1-4-10-17)23-15-16-25-21(23,18-11-5-2-6-12-18)19-13-7-8-14-22-19/h1-14H,15-16H2.
What are the key properties of phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone?
phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 67898559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).