5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole

C11H17BrN2O2S2 — CID 67986562

IUPAC5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole
SMILESCC(C)N1CCCC(S(=O)(=O)c2ncc(Br)s2)C1
InChIInChI=1S/C11H17BrN2O2S2/c1-8(2)14-5-3-4-9(7-14)18(15,16)11-13-6-10(12)17-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQETIMPKYNFLKQL-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.55
Rot. Bonds3

About 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole

5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole (PubChem CID 67986562) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole
PubChem CID67986562
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC Name5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole
SMILESCC(C)N1CCCC(S(=O)(=O)c2ncc(Br)s2)C1
InChIInChI=1S/C11H17BrN2O2S2/c1-8(2)14-5-3-4-9(7-14)18(15,16)11-13-6-10(12)17-11/h6,8-9H,3-5,7H2,1-2H3
InChIKeyQETIMPKYNFLKQL-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole (CID 67986562) is 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole is CC(C)N1CCCC(S(=O)(=O)c2ncc(Br)s2)C1.
What is the InChIKey of 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole?
The InChIKey is QETIMPKYNFLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-8(2)14-5-3-4-9(7-14)18(15,16)11-13-6-10(12)17-11/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole?
5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole has a molecular weight of 353.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-propan-2-ylpiperidin-3-yl)sulfonyl-1,3-thiazole is sourced from PubChem (CID 67986562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).