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

C4H3BrFNS — CID 18761611

IUPAC4-bromo-2-(fluoromethyl)-1,3-thiazole
SMILESFCc1nc(Br)cs1
InChIInChI=1S/C4H3BrFNS/c5-3-2-8-4(1-6)7-3/h2H,1H2
InChIKeyITXMLQLOGCJIEI-UHFFFAOYSA-N
MW196.04 g/mol
LogP2.38
Rot. Bonds1

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

4-bromo-2-(fluoromethyl)-1,3-thiazole (PubChem CID 18761611) has the molecular formula C4H3BrFNS and a molecular weight of 196.04 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(fluoromethyl)-1,3-thiazole
PubChem CID18761611
Molecular FormulaC4H3BrFNS
Molecular Weight196.04 g/mol
Exact Mass194.92
IUPAC Name4-bromo-2-(fluoromethyl)-1,3-thiazole
SMILESFCc1nc(Br)cs1
InChIInChI=1S/C4H3BrFNS/c5-3-2-8-4(1-6)7-3/h2H,1H2
InChIKeyITXMLQLOGCJIEI-UHFFFAOYSA-N
XLogP2.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298
4-Bromo-2-(1,1-difluoroethyl)-1,3-thiazole
CID 84792020
2-(4-Bromo-1,3-thiazol-2-yl)acetonitrile
CID 130138905
4-Bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789578

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(fluoromethyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(fluoromethyl)-1,3-thiazole (CID 18761611) is 4-bromo-2-(fluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(fluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(fluoromethyl)-1,3-thiazole is FCc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(fluoromethyl)-1,3-thiazole?
The InChIKey is ITXMLQLOGCJIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrFNS/c5-3-2-8-4(1-6)7-3/h2H,1H2.
What are the key properties of 4-bromo-2-(fluoromethyl)-1,3-thiazole?
4-bromo-2-(fluoromethyl)-1,3-thiazole has a molecular weight of 196.04 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethyl)-1,3-thiazole is sourced from PubChem (CID 18761611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).