4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione

C14H12N2OS2 — CID 4652744

IUPAC4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1C=CC=C/C=N/c1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-13-12(19-14(18)16-13)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-10,17H,(H,16,18)/b6-2?,9-5?,15-10+
InChIKeyIHMBGMWXRQGZFZ-ZGXIRVMUSA-N
MW288.40 g/mol
LogP4.48
Rot. Bonds4

About 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione

4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione (PubChem CID 4652744) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione
PubChem CID4652744
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1C=CC=C/C=N/c1ccccc1
InChIInChI=1S/C14H12N2OS2/c17-13-12(19-14(18)16-13)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-10,17H,(H,16,18)/b6-2?,9-5?,15-10+
InChIKeyIHMBGMWXRQGZFZ-ZGXIRVMUSA-N
XLogP4.48
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione (CID 4652744) is 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1C=CC=C/C=N/c1ccccc1.
What is the InChIKey of 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione?
The InChIKey is IHMBGMWXRQGZFZ-ZGXIRVMUSA-N. The full InChI is InChI=1S/C14H12N2OS2/c17-13-12(19-14(18)16-13)9-5-2-6-10-15-11-7-3-1-4-8-11/h1-10,17H,(H,16,18)/b6-2?,9-5?,15-10+.
What are the key properties of 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione?
4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione has a molecular weight of 288.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 4652744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).