3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione

C15H15FN2OS2 — CID 135398890

IUPAC3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccc(F)cc2)sc(=S)n1C1CCCC1
InChIInChI=1S/C15H15FN2OS2/c16-10-5-7-11(8-6-10)17-9-13-14(19)18(15(20)21-13)12-3-1-2-4-12/h5-9,12,19H,1-4H2/b17-9+
InChIKeyUTBDKVSDBDFAML-RQZCQDPDSA-N
MW322.43 g/mol
LogP4.99
Rot. Bonds3

About 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione

3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 135398890) has the molecular formula C15H15FN2OS2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID135398890
Molecular FormulaC15H15FN2OS2
Molecular Weight322.43 g/mol
Exact Mass322.06
IUPAC Name3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccc(F)cc2)sc(=S)n1C1CCCC1
InChIInChI=1S/C15H15FN2OS2/c16-10-5-7-11(8-6-10)17-9-13-14(19)18(15(20)21-13)12-3-1-2-4-12/h5-9,12,19H,1-4H2/b17-9+
InChIKeyUTBDKVSDBDFAML-RQZCQDPDSA-N
XLogP4.99
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.99
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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Related Compounds

4-Thiazolidinone, 3-ethyl-5-[(phenylamino)methylene]-2-thioxo-
CID 170221
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
3-Butyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451622
4-Thiazolidinone, 5-[(phenylamino)methylene]-2-thioxo-
CID 2838364
3-Ethyl-5-(5-phenylamino-penta-2,4-dienylidene)-2-thioxo-thiazolidin-4-one
CID 135451167
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
5-[(Z)-(5-fluoroindol-3-ylidene)methyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione
CID 136017986
5-[(5-Fluoroindol-3-ylidene)methyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione
CID 136496648
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 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione (CID 135398890) is 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione is Oc1c(/C=N/c2ccc(F)cc2)sc(=S)n1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is UTBDKVSDBDFAML-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15FN2OS2/c16-10-5-7-11(8-6-10)17-9-13-14(19)18(15(20)21-13)12-3-1-2-4-12/h5-9,12,19H,1-4H2/b17-9+.
What are the key properties of 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione?
3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 322.43 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 135398890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).