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

C6H7BrFNS — CID 84789579

IUPAC5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1ncc(Br)s1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3
InChIKeyHONKERSDCDOUPR-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.11
Rot. Bonds1

About 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole

5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (PubChem CID 84789579) has the molecular formula C6H7BrFNS and a molecular weight of 224.10 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
PubChem CID84789579
Molecular FormulaC6H7BrFNS
Molecular Weight224.10 g/mol
Exact Mass222.95
IUPAC Name5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
SMILESCC(C)(F)c1ncc(Br)s1
InChIInChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3
InChIKeyHONKERSDCDOUPR-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

2-(2-fluoropropan-2-yl)-1,3-thiazol-5-amine
CID 84764246
(5-bromo-1,3-thiazol-2-yl)-dicyclopropylmethanol
CID 67429273
5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137347275
3-(5-bromo-1,3-thiazol-2-yl)pentan-3-ylphosphonic acid
CID 90170296
5-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
CID 146421536
1-(5-bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 130132163
2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
5-bromo-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 20785903
5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
(1S,2R,4S)-4-[1-(5-bromo-1,3-thiazol-2-yl)-1-hydroxyethyl]-2-methylcyclohexane-1-carboxylic acid
CID 129202457
5-bromo-2-ethylsulfonyl-1,3-thiazole
CID 117190341
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole (CID 84789579) is 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is CC(C)(F)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
The InChIKey is HONKERSDCDOUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFNS/c1-6(2,8)5-9-3-4(7)10-5/h3H,1-2H3.
What are the key properties of 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole?
5-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 5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 84789579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).