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

C4H5F2NS — CID 175558014

IUPAC3-(difluoromethyl)-2H-1,3-thiazole
SMILESFC(F)N1C=CSC1
InChIInChI=1S/C4H5F2NS/c5-4(6)7-1-2-8-3-7/h1-2,4H,3H2
InChIKeyRUTRDJDDRKBQCJ-UHFFFAOYSA-N
MW137.15 g/mol
LogP1.69
Rot. Bonds1

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

3-(difluoromethyl)-2H-1,3-thiazole (PubChem CID 175558014) has the molecular formula C4H5F2NS and a molecular weight of 137.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2H-1,3-thiazole
PubChem CID175558014
Molecular FormulaC4H5F2NS
Molecular Weight137.15 g/mol
Exact Mass137.01
IUPAC Name3-(difluoromethyl)-2H-1,3-thiazole
SMILESFC(F)N1C=CSC1
InChIInChI=1S/C4H5F2NS/c5-4(6)7-1-2-8-3-7/h1-2,4H,3H2
InChIKeyRUTRDJDDRKBQCJ-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-(difluoromethyl)-2H-1,3-thiazole?
The IUPAC name of 3-(difluoromethyl)-2H-1,3-thiazole (CID 175558014) is 3-(difluoromethyl)-2H-1,3-thiazole.
What is the SMILES notation for 3-(difluoromethyl)-2H-1,3-thiazole?
The canonical SMILES for 3-(difluoromethyl)-2H-1,3-thiazole is FC(F)N1C=CSC1.
What is the InChIKey of 3-(difluoromethyl)-2H-1,3-thiazole?
The InChIKey is RUTRDJDDRKBQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NS/c5-4(6)7-1-2-8-3-7/h1-2,4H,3H2.
What are the key properties of 3-(difluoromethyl)-2H-1,3-thiazole?
3-(difluoromethyl)-2H-1,3-thiazole has a molecular weight of 137.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2H-1,3-thiazole is sourced from PubChem (CID 175558014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).