2-(difluoromethylsulfanyl)-1,3-thiazole

C4H3F2NS2 — CID 173363309

IUPAC2-(difluoromethylsulfanyl)-1,3-thiazole
SMILESFC(F)Sc1nccs1
InChIInChI=1S/C4H3F2NS2/c5-3(6)9-4-7-1-2-8-4/h1-3H
InChIKeyJDHVSKZSVFOSJQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP2.46
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-1,3-thiazole

2-(difluoromethylsulfanyl)-1,3-thiazole (PubChem CID 173363309) has the molecular formula C4H3F2NS2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-1,3-thiazole
PubChem CID173363309
Molecular FormulaC4H3F2NS2
Molecular Weight167.21 g/mol
Exact Mass166.97
IUPAC Name2-(difluoromethylsulfanyl)-1,3-thiazole
SMILESFC(F)Sc1nccs1
InChIInChI=1S/C4H3F2NS2/c5-3(6)9-4-7-1-2-8-4/h1-3H
InChIKeyJDHVSKZSVFOSJQ-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.46
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-(difluoromethylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(difluoromethylsulfanyl)-1,3-thiazole (CID 173363309) is 2-(difluoromethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(difluoromethylsulfanyl)-1,3-thiazole is FC(F)Sc1nccs1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-1,3-thiazole?
The InChIKey is JDHVSKZSVFOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2NS2/c5-3(6)9-4-7-1-2-8-4/h1-3H.
What are the key properties of 2-(difluoromethylsulfanyl)-1,3-thiazole?
2-(difluoromethylsulfanyl)-1,3-thiazole has a molecular weight of 167.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 173363309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).