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

C10H8N2OS2 — CID 2838364

IUPAC4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/c1ccccc1
InChIInChI=1S/C10H8N2OS2/c13-9-8(15-10(14)12-9)6-11-7-4-2-1-3-5-7/h1-6,13H,(H,12,14)/b11-6+
InChIKeyGRIXKUZGCYKHAS-IZZDOVSWSA-N
MW236.32 g/mol
LogP3.26
Rot. Bonds2

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

4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione (PubChem CID 2838364) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione
PubChem CID2838364
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione
SMILESOc1[nH]c(=S)sc1/C=N/c1ccccc1
InChIInChI=1S/C10H8N2OS2/c13-9-8(15-10(14)12-9)6-11-7-4-2-1-3-5-7/h1-6,13H,(H,12,14)/b11-6+
InChIKeyGRIXKUZGCYKHAS-IZZDOVSWSA-N
XLogP3.26
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
Rhodanine, 5-(3-indolylmethylene)-
CID 135501994
5-[(Phenylamino)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1870876
(5Z)-5-(anilinomethylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4274100
(5Z)-4-hydroxy-5-(1H-indol-3-ylmethylidene)-1,3-thiazole-2(5H)-thione
CID 135420903
3-Butyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451622
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
5-((1H-Indol-3-yl)methylene)-2-thioxothiazolidin-4-one
CID 1206903
3-Ethyl-4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-1,3-thiazole-2-thione
CID 3115051
3-Butyl-4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-1,3-thiazole-2-thione
CID 3115052
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
CID 137068979
4-hydroxy-5-(5-phenyliminopenta-1,3-dienyl)-3H-1,3-thiazole-2-thione
CID 4652744

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione (CID 2838364) is 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione is Oc1[nH]c(=S)sc1/C=N/c1ccccc1.
What is the InChIKey of 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione?
The InChIKey is GRIXKUZGCYKHAS-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H8N2OS2/c13-9-8(15-10(14)12-9)6-11-7-4-2-1-3-5-7/h1-6,13H,(H,12,14)/b11-6+.
What are the key properties of 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione?
4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione has a molecular weight of 236.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(phenyliminomethyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 2838364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).