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

C10H8FNS2 — CID 28811332

IUPAC5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione
SMILESFc1ccc(Cc2c[nH]c(=S)s2)cc1
InChIInChI=1S/C10H8FNS2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,6H,5H2,(H,12,13)
InChIKeyMWBMIFNCTDDBGI-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.54
Rot. Bonds2

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

5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione (PubChem CID 28811332) has the molecular formula C10H8FNS2 and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione
PubChem CID28811332
Molecular FormulaC10H8FNS2
Molecular Weight225.31 g/mol
Exact Mass225.01
IUPAC Name5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione
SMILESFc1ccc(Cc2c[nH]c(=S)s2)cc1
InChIInChI=1S/C10H8FNS2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,6H,5H2,(H,12,13)
InChIKeyMWBMIFNCTDDBGI-UHFFFAOYSA-N
XLogP3.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methyl]-3H-1,3-thiazole-2-thione
CID 28811345
5-[(4-fluorophenyl)methyl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 43350751
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
5-[(4-fluorophenyl)methyl]-1,2-thiazol-3-amine
CID 112716201
4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-2,4-dioxobutanoic acid
CID 510829
1-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]-1-hydroxyurea
CID 89098886
3,6-bis[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850645
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
CID 95481197
3-[(4-fluorophenyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64865678
6-benzyl-3-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850641
methyl 2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306531

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione (CID 28811332) is 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione is Fc1ccc(Cc2c[nH]c(=S)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione?
The InChIKey is MWBMIFNCTDDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNS2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,6H,5H2,(H,12,13).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione?
5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione has a molecular weight of 225.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 28811332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).