4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole

C8H8BrF3N2S — CID 130507413

IUPAC4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(c2nc(Br)cs2)C1
InChIInChI=1S/C8H8BrF3N2S/c9-6-4-15-7(13-6)14-2-1-5(3-14)8(10,11)12/h4-5H,1-3H2
InChIKeyVQWMFYHKSLJWON-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.29
Rot. Bonds1

About 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole

4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole (PubChem CID 130507413) has the molecular formula C8H8BrF3N2S and a molecular weight of 301.13 g/mol. Its IUPAC name is 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
PubChem CID130507413
Molecular FormulaC8H8BrF3N2S
Molecular Weight301.13 g/mol
Exact Mass299.95
IUPAC Name4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(c2nc(Br)cs2)C1
InChIInChI=1S/C8H8BrF3N2S/c9-6-4-15-7(13-6)14-2-1-5(3-14)8(10,11)12/h4-5H,1-3H2
InChIKeyVQWMFYHKSLJWON-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-(3,3-difluoropyrrolidin-1-yl)-1,3-thiazole
CID 130607013
4-Bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
CID 169266631
2-[(3S)-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 173897788
2-[(3R)-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 173897793
4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79398922
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399412
4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399535
4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399659
4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 79399733
4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79399763
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79399802
4-Bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79399927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole (CID 130507413) is 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole is FC(F)(F)C1CCN(c2nc(Br)cs2)C1.
What is the InChIKey of 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
The InChIKey is VQWMFYHKSLJWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2S/c9-6-4-15-7(13-6)14-2-1-5(3-14)8(10,11)12/h4-5H,1-3H2.
What are the key properties of 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole?
4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole has a molecular weight of 301.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 130507413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).