2,4-dibromo-5-piperidin-1-yl-1,3-thiazole

C8H10Br2N2S — CID 66521043

IUPAC2,4-dibromo-5-piperidin-1-yl-1,3-thiazole
SMILESBrc1nc(Br)c(N2CCCCC2)s1
InChIInChI=1S/C8H10Br2N2S/c9-6-7(13-8(10)11-6)12-4-2-1-3-5-12/h1-5H2
InChIKeyJMXWCPIQYRLNSY-UHFFFAOYSA-N
MW326.06 g/mol
LogP3.66
Rot. Bonds1

About 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole

2,4-dibromo-5-piperidin-1-yl-1,3-thiazole (PubChem CID 66521043) has the molecular formula C8H10Br2N2S and a molecular weight of 326.06 g/mol. Its IUPAC name is 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibromo-5-piperidin-1-yl-1,3-thiazole
PubChem CID66521043
Molecular FormulaC8H10Br2N2S
Molecular Weight326.06 g/mol
Exact Mass323.89
IUPAC Name2,4-dibromo-5-piperidin-1-yl-1,3-thiazole
SMILESBrc1nc(Br)c(N2CCCCC2)s1
InChIInChI=1S/C8H10Br2N2S/c9-6-7(13-8(10)11-6)12-4-2-1-3-5-12/h1-5H2
InChIKeyJMXWCPIQYRLNSY-UHFFFAOYSA-N
XLogP3.66
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.06
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole (CID 66521043) is 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole is Brc1nc(Br)c(N2CCCCC2)s1.
What is the InChIKey of 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole?
The InChIKey is JMXWCPIQYRLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2S/c9-6-7(13-8(10)11-6)12-4-2-1-3-5-12/h1-5H2.
What are the key properties of 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole?
2,4-dibromo-5-piperidin-1-yl-1,3-thiazole has a molecular weight of 326.06 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 66521043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).