3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole

C6H8F3NS — CID 173055905

IUPAC3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole
SMILESCCC1SC(F)=CN1C(F)F
InChIInChI=1S/C6H8F3NS/c1-2-5-10(6(8)9)3-4(7)11-5/h3,5-6H,2H2,1H3
InChIKeyHVJFICSGMMGZMY-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.76
Rot. Bonds2

About 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole

3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole (PubChem CID 173055905) has the molecular formula C6H8F3NS and a molecular weight of 183.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole
PubChem CID173055905
Molecular FormulaC6H8F3NS
Molecular Weight183.20 g/mol
Exact Mass183.03
IUPAC Name3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole
SMILESCCC1SC(F)=CN1C(F)F
InChIInChI=1S/C6H8F3NS/c1-2-5-10(6(8)9)3-4(7)11-5/h3,5-6H,2H2,1H3
InChIKeyHVJFICSGMMGZMY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole?
The IUPAC name of 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole (CID 173055905) is 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole.
What is the SMILES notation for 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole?
The canonical SMILES for 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole is CCC1SC(F)=CN1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole?
The InChIKey is HVJFICSGMMGZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NS/c1-2-5-10(6(8)9)3-4(7)11-5/h3,5-6H,2H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole?
3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole has a molecular weight of 183.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-ethyl-5-fluoro-2H-1,3-thiazole is sourced from PubChem (CID 173055905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).