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

C11H9FN2OS2 — CID 137249270

IUPAC5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S
InChIInChI=1S/C11H9FN2OS2/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+
InChIKeyRXVRTXBFSMFKDV-AWNIVKPZSA-N
MW268.34 g/mol
LogP3.41
Rot. Bonds2

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

5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione (PubChem CID 137249270) has the molecular formula C11H9FN2OS2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione
PubChem CID137249270
Molecular FormulaC11H9FN2OS2
Molecular Weight268.34 g/mol
Exact Mass268.01
IUPAC Name5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione
SMILESCn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S
InChIInChI=1S/C11H9FN2OS2/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+
InChIKeyRXVRTXBFSMFKDV-AWNIVKPZSA-N
XLogP3.41
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.41
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'}

Analyze 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione?
The IUPAC name of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione (CID 137249270) is 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione is Cn1c(O)c(/C=N/c2ccc(F)cc2)sc1=S.
What is the InChIKey of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione?
The InChIKey is RXVRTXBFSMFKDV-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9FN2OS2/c1-14-10(15)9(17-11(14)16)6-13-8-4-2-7(12)3-5-8/h2-6,15H,1H3/b13-6+.
What are the key properties of 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione?
5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione has a molecular weight of 268.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)iminomethyl]-4-hydroxy-3-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 137249270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).