2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole

C8H11BrN2O2S2 — CID 118230762

IUPAC2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Br)s1)N1CCCCC1
InChIInChI=1S/C8H11BrN2O2S2/c9-8-10-6-7(14-8)15(12,13)11-4-2-1-3-5-11/h6H,1-5H2
InChIKeyBHVXDFBCTYCXOL-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.08
Rot. Bonds2

About 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole

2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 118230762) has the molecular formula C8H11BrN2O2S2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole
PubChem CID118230762
Molecular FormulaC8H11BrN2O2S2
Molecular Weight311.23 g/mol
Exact Mass309.94
IUPAC Name2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Br)s1)N1CCCCC1
InChIInChI=1S/C8H11BrN2O2S2/c9-8-10-6-7(14-8)15(12,13)11-4-2-1-3-5-11/h6H,1-5H2
InChIKeyBHVXDFBCTYCXOL-UHFFFAOYSA-N
XLogP2.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole (CID 118230762) is 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole is O=S(=O)(c1cnc(Br)s1)N1CCCCC1.
What is the InChIKey of 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is BHVXDFBCTYCXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S2/c9-8-10-6-7(14-8)15(12,13)11-4-2-1-3-5-11/h6H,1-5H2.
What are the key properties of 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole?
2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 311.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-piperidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 118230762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).