4,5-dibromo-2-cyclopentyl-1,3-thiazole

C8H9Br2NS — CID 66521427

IUPAC4,5-dibromo-2-cyclopentyl-1,3-thiazole
SMILESBrc1nc(C2CCCC2)sc1Br
InChIInChI=1S/C8H9Br2NS/c9-6-7(10)12-8(11-6)5-3-1-2-4-5/h5H,1-4H2
InChIKeyPOKIIVIOHGMVHO-UHFFFAOYSA-N
MW311.04 g/mol
LogP4.33
Rot. Bonds1

About 4,5-dibromo-2-cyclopentyl-1,3-thiazole

4,5-dibromo-2-cyclopentyl-1,3-thiazole (PubChem CID 66521427) has the molecular formula C8H9Br2NS and a molecular weight of 311.04 g/mol. Its IUPAC name is 4,5-dibromo-2-cyclopentyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-cyclopentyl-1,3-thiazole
PubChem CID66521427
Molecular FormulaC8H9Br2NS
Molecular Weight311.04 g/mol
Exact Mass308.88
IUPAC Name4,5-dibromo-2-cyclopentyl-1,3-thiazole
SMILESBrc1nc(C2CCCC2)sc1Br
InChIInChI=1S/C8H9Br2NS/c9-6-7(10)12-8(11-6)5-3-1-2-4-5/h5H,1-4H2
InChIKeyPOKIIVIOHGMVHO-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.04
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-cyclopentyl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-cyclopentyl-1,3-thiazole (CID 66521427) is 4,5-dibromo-2-cyclopentyl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-cyclopentyl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-cyclopentyl-1,3-thiazole is Brc1nc(C2CCCC2)sc1Br.
What is the InChIKey of 4,5-dibromo-2-cyclopentyl-1,3-thiazole?
The InChIKey is POKIIVIOHGMVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NS/c9-6-7(10)12-8(11-6)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 4,5-dibromo-2-cyclopentyl-1,3-thiazole?
4,5-dibromo-2-cyclopentyl-1,3-thiazole has a molecular weight of 311.04 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-cyclopentyl-1,3-thiazole is sourced from PubChem (CID 66521427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).