(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

C17H17N3OS — CID 7110198

IUPAC(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-11-20-16(19-15-9-6-10-18-12-15)22-13-17(20,21)14-7-4-3-5-8-14/h2-10,12,21H,1,11,13H2/b19-16-/t17-/m0/s1
InChIKeyZSXQXEVSZAXWPQ-DOMQTXCISA-N
MW311.41 g/mol
LogP3.15
Rot. Bonds4

About (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol

(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (PubChem CID 7110198) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
PubChem CID7110198
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
SMILESC=CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccccc1
InChIInChI=1S/C17H17N3OS/c1-2-11-20-16(19-15-9-6-10-18-12-15)22-13-17(20,21)14-7-4-3-5-8-14/h2-10,12,21H,1,11,13H2/b19-16-/t17-/m0/s1
InChIKeyZSXQXEVSZAXWPQ-DOMQTXCISA-N
XLogP3.15
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol (CID 7110198) is (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is C=CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is ZSXQXEVSZAXWPQ-DOMQTXCISA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-11-20-16(19-15-9-6-10-18-12-15)22-13-17(20,21)14-7-4-3-5-8-14/h2-10,12,21H,1,11,13H2/b19-16-/t17-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol?
(4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 311.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 7110198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).