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

C6H9F2NS — CID 173055860

IUPAC3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole
SMILESCCC1SC=CN1C(F)F
InChIInChI=1S/C6H9F2NS/c1-2-5-9(6(7)8)3-4-10-5/h3-6H,2H2,1H3
InChIKeyXHILWGFZWQFLHR-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.47
Rot. Bonds2

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

3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole (PubChem CID 173055860) has the molecular formula C6H9F2NS and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole
PubChem CID173055860
Molecular FormulaC6H9F2NS
Molecular Weight165.21 g/mol
Exact Mass165.04
IUPAC Name3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole
SMILESCCC1SC=CN1C(F)F
InChIInChI=1S/C6H9F2NS/c1-2-5-9(6(7)8)3-4-10-5/h3-6H,2H2,1H3
InChIKeyXHILWGFZWQFLHR-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.47
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-2H-1,3-thiazole?
The IUPAC name of 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole (CID 173055860) is 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole.
What is the SMILES notation for 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole?
The canonical SMILES for 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole is CCC1SC=CN1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole?
The InChIKey is XHILWGFZWQFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NS/c1-2-5-9(6(7)8)3-4-10-5/h3-6H,2H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole?
3-(difluoromethyl)-2-ethyl-2H-1,3-thiazole has a molecular weight of 165.21 g/mol, XLogP of 2.47, 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-2H-1,3-thiazole is sourced from PubChem (CID 173055860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).