1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea

C16H15N3OS2 — CID 1268838

IUPAC1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea
SMILESO=C1CS[C@@H](c2ccccc2)N1NC(=S)Nc1ccccc1
InChIInChI=1S/C16H15N3OS2/c20-14-11-22-15(12-7-3-1-4-8-12)19(14)18-16(21)17-13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,17,18,21)/t15-/m0/s1
InChIKeyGHTHLDCVGLNKDR-HNNXBMFYSA-N
MW329.45 g/mol
LogP3.16
Rot. Bonds3

About 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea

1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea (PubChem CID 1268838) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea
PubChem CID1268838
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea
SMILESO=C1CS[C@@H](c2ccccc2)N1NC(=S)Nc1ccccc1
InChIInChI=1S/C16H15N3OS2/c20-14-11-22-15(12-7-3-1-4-8-12)19(14)18-16(21)17-13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,17,18,21)/t15-/m0/s1
InChIKeyGHTHLDCVGLNKDR-HNNXBMFYSA-N
XLogP3.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea?
The IUPAC name of 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea (CID 1268838) is 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea.
What is the SMILES notation for 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea?
The canonical SMILES for 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea is O=C1CS[C@@H](c2ccccc2)N1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea?
The InChIKey is GHTHLDCVGLNKDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c20-14-11-22-15(12-7-3-1-4-8-12)19(14)18-16(21)17-13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,17,18,21)/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea?
1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea has a molecular weight of 329.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]-3-phenylthiourea is sourced from PubChem (CID 1268838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).