2-bromo-4-(difluoromethyl)-1,3-thiazole

C4H2BrF2NS — CID 83854657

IUPAC2-bromo-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1csc(Br)n1
InChIInChI=1S/C4H2BrF2NS/c5-4-8-2(1-9-4)3(6)7/h1,3H
InChIKeyVQZDTVNJTFWZAG-UHFFFAOYSA-N
MW214.03 g/mol
LogP2.84
Rot. Bonds1

About 2-bromo-4-(difluoromethyl)-1,3-thiazole

2-bromo-4-(difluoromethyl)-1,3-thiazole (PubChem CID 83854657) has the molecular formula C4H2BrF2NS and a molecular weight of 214.03 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-1,3-thiazole
PubChem CID83854657
Molecular FormulaC4H2BrF2NS
Molecular Weight214.03 g/mol
Exact Mass212.91
IUPAC Name2-bromo-4-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1csc(Br)n1
InChIInChI=1S/C4H2BrF2NS/c5-4-8-2(1-9-4)3(6)7/h1,3H
InChIKeyVQZDTVNJTFWZAG-UHFFFAOYSA-N
XLogP2.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(difluoromethyl)-1,3-thiazole (CID 83854657) is 2-bromo-4-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-1,3-thiazole is FC(F)c1csc(Br)n1.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-1,3-thiazole?
The InChIKey is VQZDTVNJTFWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF2NS/c5-4-8-2(1-9-4)3(6)7/h1,3H.
What are the key properties of 2-bromo-4-(difluoromethyl)-1,3-thiazole?
2-bromo-4-(difluoromethyl)-1,3-thiazole has a molecular weight of 214.03 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 83854657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).