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

C8H11BrN2S — CID 79035369

IUPAC5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCC1CCCN1c1ncc(Br)s1
InChIInChI=1S/C8H11BrN2S/c1-6-3-2-4-11(6)8-10-5-7(9)12-8/h5-6H,2-4H2,1H3
InChIKeyQSRJYIFMIVWGKG-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.89
Rot. Bonds1

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

5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 79035369) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID79035369
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
SMILESCC1CCCN1c1ncc(Br)s1
InChIInChI=1S/C8H11BrN2S/c1-6-3-2-4-11(6)8-10-5-7(9)12-8/h5-6H,2-4H2,1H3
InChIKeyQSRJYIFMIVWGKG-UHFFFAOYSA-N
XLogP2.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole (CID 79035369) is 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole is CC1CCCN1c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is QSRJYIFMIVWGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c1-6-3-2-4-11(6)8-10-5-7(9)12-8/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole?
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 247.16 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 79035369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).