5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione

C11H11N3OS2 — CID 4755169

IUPAC5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESCc1cc(C)nc(N=Cc2sc(=S)[nH]c2O)c1
InChIInChI=1S/C11H11N3OS2/c1-6-3-7(2)13-9(4-6)12-5-8-10(15)14-11(16)17-8/h3-5,15H,1-2H3,(H,14,16)
InChIKeyICOMNSYGMGICOU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds2

About 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione

5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione (PubChem CID 4755169) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
PubChem CID4755169
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione
SMILESCc1cc(C)nc(N=Cc2sc(=S)[nH]c2O)c1
InChIInChI=1S/C11H11N3OS2/c1-6-3-7(2)13-9(4-6)12-5-8-10(15)14-11(16)17-8/h3-5,15H,1-2H3,(H,14,16)
InChIKeyICOMNSYGMGICOU-UHFFFAOYSA-N
XLogP3.27
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione (CID 4755169) is 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione is Cc1cc(C)nc(N=Cc2sc(=S)[nH]c2O)c1.
What is the InChIKey of 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
The InChIKey is ICOMNSYGMGICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-6-3-7(2)13-9(4-6)12-5-8-10(15)14-11(16)17-8/h3-5,15H,1-2H3,(H,14,16).
What are the key properties of 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione?
5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione has a molecular weight of 265.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2-pyridinyl)iminomethyl]-4-hydroxy-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 4755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).