3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione

C10H6ClFN2OS2 — CID 91899200

IUPAC3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFN2OS2/c11-7-2-1-3-8(12)6(7)4-13-14-9(15)5-17-10(14)16/h1-5,15H/b13-4+
InChIKeyYYZANUCVVFVKMB-YIXHJXPBSA-N
MW288.76 g/mol
LogP3.66
Rot. Bonds2

About 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione

3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 91899200) has the molecular formula C10H6ClFN2OS2 and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID91899200
Molecular FormulaC10H6ClFN2OS2
Molecular Weight288.76 g/mol
Exact Mass287.96
IUPAC Name3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1csc(=S)n1/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C10H6ClFN2OS2/c11-7-2-1-3-8(12)6(7)4-13-14-9(15)5-17-10(14)16/h1-5,15H/b13-4+
InChIKeyYYZANUCVVFVKMB-YIXHJXPBSA-N
XLogP3.66
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.66
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-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione (CID 91899200) is 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione is Oc1csc(=S)n1/N=C/c1c(F)cccc1Cl.
What is the InChIKey of 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is YYZANUCVVFVKMB-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H6ClFN2OS2/c11-7-2-1-3-8(12)6(7)4-13-14-9(15)5-17-10(14)16/h1-5,15H/b13-4+.
What are the key properties of 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione?
3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 288.76 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 91899200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).