4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

C6H7BrFNS — CID 84789578

IUPAC4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1nc(Br)cs1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-4(7)3-10-5/h3H,1-2H3
InChIKeyGRHLJFKEKUOLQI-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.11
Rot. Bonds1

About 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (PubChem CID 84789578) has the molecular formula C6H7BrFNS and a molecular weight of 224.10 g/mol. Its IUPAC name is 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
PubChem CID84789578
Molecular FormulaC6H7BrFNS
Molecular Weight224.10 g/mol
Exact Mass222.95
IUPAC Name4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1nc(Br)cs1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-4(7)3-10-5/h3H,1-2H3
InChIKeyGRHLJFKEKUOLQI-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-2-cyclopropyl-1,3-thiazole
CID 45141884
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
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-prop-2-enyl-1,3-thiazole
CID 68969530
4-Bromo-2-(bromomethyl)-1,3-thiazole hydrobromide
CID 155977847
4-Bromo-2-(sec-butyl)thiazole
CID 10889421
4-Bromo-2-butyl-1,3-thiazole
CID 11096125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (CID 84789578) is 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is CC(C)(F)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The InChIKey is GRHLJFKEKUOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFNS/c1-6(2,8)5-9-4(7)3-10-5/h3H,1-2H3.
What are the key properties of 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole has a molecular weight of 224.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 84789578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).