2,4-difluoro-3-methyl-2H-1,3-thiazole

C4H5F2NS — CID 146392989

IUPAC2,4-difluoro-3-methyl-2H-1,3-thiazole
SMILESCN1C(F)=CSC1F
InChIInChI=1S/C4H5F2NS/c1-7-3(5)2-8-4(7)6/h2,4H,1H3
InChIKeyMPKNZWQGVWYZDX-UHFFFAOYSA-N
MW137.15 g/mol
LogP1.69
Rot. Bonds

About 2,4-difluoro-3-methyl-2H-1,3-thiazole

2,4-difluoro-3-methyl-2H-1,3-thiazole (PubChem CID 146392989) has the molecular formula C4H5F2NS and a molecular weight of 137.15 g/mol. Its IUPAC name is 2,4-difluoro-3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2,4-difluoro-3-methyl-2H-1,3-thiazole
PubChem CID146392989
Molecular FormulaC4H5F2NS
Molecular Weight137.15 g/mol
Exact Mass137.01
IUPAC Name2,4-difluoro-3-methyl-2H-1,3-thiazole
SMILESCN1C(F)=CSC1F
InChIInChI=1S/C4H5F2NS/c1-7-3(5)2-8-4(7)6/h2,4H,1H3
InChIKeyMPKNZWQGVWYZDX-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 51.69
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 2,4-difluoro-3-methyl-2H-1,3-thiazole?
The IUPAC name of 2,4-difluoro-3-methyl-2H-1,3-thiazole (CID 146392989) is 2,4-difluoro-3-methyl-2H-1,3-thiazole.
What is the SMILES notation for 2,4-difluoro-3-methyl-2H-1,3-thiazole?
The canonical SMILES for 2,4-difluoro-3-methyl-2H-1,3-thiazole is CN1C(F)=CSC1F.
What is the InChIKey of 2,4-difluoro-3-methyl-2H-1,3-thiazole?
The InChIKey is MPKNZWQGVWYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NS/c1-7-3(5)2-8-4(7)6/h2,4H,1H3.
What are the key properties of 2,4-difluoro-3-methyl-2H-1,3-thiazole?
2,4-difluoro-3-methyl-2H-1,3-thiazole has a molecular weight of 137.15 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 146392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).