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

C8H11BrN2O2S — CID 117259624

IUPAC2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide
SMILESCN1CCC(C2=CN=C(Br)S2(=O)=O)C1
InChIInChI=1S/C8H11BrN2O2S/c1-11-3-2-6(5-11)7-4-10-8(9)14(7,12)13/h4,6H,2-3,5H2,1H3
InChIKeyIPOWFKSPOMVICT-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.96
Rot. Bonds1

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

2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide (PubChem CID 117259624) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide
PubChem CID117259624
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC Name2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide
SMILESCN1CCC(C2=CN=C(Br)S2(=O)=O)C1
InChIInChI=1S/C8H11BrN2O2S/c1-11-3-2-6(5-11)7-4-10-8(9)14(7,12)13/h4,6H,2-3,5H2,1H3
InChIKeyIPOWFKSPOMVICT-UHFFFAOYSA-N
XLogP0.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide (CID 117259624) is 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide is CN1CCC(C2=CN=C(Br)S2(=O)=O)C1.
What is the InChIKey of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide?
The InChIKey is IPOWFKSPOMVICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-11-3-2-6(5-11)7-4-10-8(9)14(7,12)13/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide?
2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide has a molecular weight of 279.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methylpyrrolidin-3-yl)-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117259624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).