4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione

C10H8FNOS2 — CID 82293045

IUPAC4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(F)cc1-c1csc(=S)[nH]1
InChIInChI=1S/C10H8FNOS2/c1-13-9-3-2-6(11)4-7(9)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14)
InChIKeyPQRXTRSAMKINRH-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.62
Rot. Bonds2

About 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione

4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione (PubChem CID 82293045) has the molecular formula C10H8FNOS2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione
PubChem CID82293045
Molecular FormulaC10H8FNOS2
Molecular Weight241.31 g/mol
Exact Mass241.00
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione
SMILESCOc1ccc(F)cc1-c1csc(=S)[nH]1
InChIInChI=1S/C10H8FNOS2/c1-13-9-3-2-6(11)4-7(9)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14)
InChIKeyPQRXTRSAMKINRH-UHFFFAOYSA-N
XLogP3.62
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione (CID 82293045) is 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione is COc1ccc(F)cc1-c1csc(=S)[nH]1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is PQRXTRSAMKINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS2/c1-13-9-3-2-6(11)4-7(9)8-5-15-10(14)12-8/h2-5H,1H3,(H,12,14).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione?
4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 241.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82293045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).