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

C8H9Br2NS — CID 66521223

IUPAC2,5-dibromo-4-cyclopentyl-1,3-thiazole
SMILESBrc1nc(C2CCCC2)c(Br)s1
InChIInChI=1S/C8H9Br2NS/c9-7-6(11-8(10)12-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyMSHXKFZJTCSKQD-UHFFFAOYSA-N
MW311.04 g/mol
LogP4.33
Rot. Bonds1

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

2,5-dibromo-4-cyclopentyl-1,3-thiazole (PubChem CID 66521223) has the molecular formula C8H9Br2NS and a molecular weight of 311.04 g/mol. Its IUPAC name is 2,5-dibromo-4-cyclopentyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dibromo-4-cyclopentyl-1,3-thiazole
PubChem CID66521223
Molecular FormulaC8H9Br2NS
Molecular Weight311.04 g/mol
Exact Mass308.88
IUPAC Name2,5-dibromo-4-cyclopentyl-1,3-thiazole
SMILESBrc1nc(C2CCCC2)c(Br)s1
InChIInChI=1S/C8H9Br2NS/c9-7-6(11-8(10)12-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyMSHXKFZJTCSKQD-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 2,5-dibromo-4-cyclopentyl-1,3-thiazole?
The IUPAC name of 2,5-dibromo-4-cyclopentyl-1,3-thiazole (CID 66521223) is 2,5-dibromo-4-cyclopentyl-1,3-thiazole.
What is the SMILES notation for 2,5-dibromo-4-cyclopentyl-1,3-thiazole?
The canonical SMILES for 2,5-dibromo-4-cyclopentyl-1,3-thiazole is Brc1nc(C2CCCC2)c(Br)s1.
What is the InChIKey of 2,5-dibromo-4-cyclopentyl-1,3-thiazole?
The InChIKey is MSHXKFZJTCSKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NS/c9-7-6(11-8(10)12-7)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 2,5-dibromo-4-cyclopentyl-1,3-thiazole?
2,5-dibromo-4-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 2,5-dibromo-4-cyclopentyl-1,3-thiazole is sourced from PubChem (CID 66521223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).