2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole

C9H5F2NS2 — CID 54443047

IUPAC2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole
SMILESFc1cc(F)cc(Sc2nccs2)c1
InChIInChI=1S/C9H5F2NS2/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H
InChIKeyWPMYMARKUUIDNH-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.57
Rot. Bonds2

About 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole

2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole (PubChem CID 54443047) has the molecular formula C9H5F2NS2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole
PubChem CID54443047
Molecular FormulaC9H5F2NS2
Molecular Weight229.28 g/mol
Exact Mass228.98
IUPAC Name2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole
SMILESFc1cc(F)cc(Sc2nccs2)c1
InChIInChI=1S/C9H5F2NS2/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H
InChIKeyWPMYMARKUUIDNH-UHFFFAOYSA-N
XLogP3.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole (CID 54443047) is 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole is Fc1cc(F)cc(Sc2nccs2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole?
The InChIKey is WPMYMARKUUIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NS2/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H.
What are the key properties of 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole?
2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole has a molecular weight of 229.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 54443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).