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

C15H16N2OS2 — CID 135398848

IUPAC3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCC1
InChIInChI=1S/C15H16N2OS2/c18-14-13(10-16-11-6-2-1-3-7-11)20-15(19)17(14)12-8-4-5-9-12/h1-3,6-7,10,12,18H,4-5,8-9H2/b16-10+
InChIKeyZRKFMYRYVXSMLE-MHWRWJLKSA-N
MW304.44 g/mol
LogP4.85
Rot. Bonds3

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

3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione (PubChem CID 135398848) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
PubChem CID135398848
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCC1
InChIInChI=1S/C15H16N2OS2/c18-14-13(10-16-11-6-2-1-3-7-11)20-15(19)17(14)12-8-4-5-9-12/h1-3,6-7,10,12,18H,4-5,8-9H2/b16-10+
InChIKeyZRKFMYRYVXSMLE-MHWRWJLKSA-N
XLogP4.85
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
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 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione (CID 135398848) is 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione is Oc1c(/C=N/c2ccccc2)sc(=S)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
The InChIKey is ZRKFMYRYVXSMLE-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2OS2/c18-14-13(10-16-11-6-2-1-3-7-11)20-15(19)17(14)12-8-4-5-9-12/h1-3,6-7,10,12,18H,4-5,8-9H2/b16-10+.
What are the key properties of 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione?
3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione has a molecular weight of 304.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 135398848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).