3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol

C16H17N3OS — CID 4224550

IUPAC3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1C(=Nc2ccccn2)SCC1(O)c1ccccc1
InChIInChI=1S/C16H17N3OS/c1-2-19-15(18-14-10-6-7-11-17-14)21-12-16(19,20)13-8-4-3-5-9-13/h3-11,20H,2,12H2,1H3
InChIKeyKTSMHJBFCVPBOA-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.98
Rot. Bonds3

About 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol

3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol (PubChem CID 4224550) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol
PubChem CID4224550
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol
SMILESCCN1C(=Nc2ccccn2)SCC1(O)c1ccccc1
InChIInChI=1S/C16H17N3OS/c1-2-19-15(18-14-10-6-7-11-17-14)21-12-16(19,20)13-8-4-3-5-9-13/h3-11,20H,2,12H2,1H3
InChIKeyKTSMHJBFCVPBOA-UHFFFAOYSA-N
XLogP2.98
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol?
The IUPAC name of 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol (CID 4224550) is 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol.
What is the SMILES notation for 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol?
The canonical SMILES for 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol is CCN1C(=Nc2ccccn2)SCC1(O)c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol?
The InChIKey is KTSMHJBFCVPBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-19-15(18-14-10-6-7-11-17-14)21-12-16(19,20)13-8-4-3-5-9-13/h3-11,20H,2,12H2,1H3.
What are the key properties of 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol?
3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol has a molecular weight of 299.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-ol is sourced from PubChem (CID 4224550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).