2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole

C10H14BrNS — CID 79824864

IUPAC2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
SMILESCC1C(Br)CCC1Cc1nccs1
InChIInChI=1S/C10H14BrNS/c1-7-8(2-3-9(7)11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJZOKDXKPYGVDDP-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.50
Rot. Bonds2

About 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole

2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole (PubChem CID 79824864) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
PubChem CID79824864
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
SMILESCC1C(Br)CCC1Cc1nccs1
InChIInChI=1S/C10H14BrNS/c1-7-8(2-3-9(7)11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJZOKDXKPYGVDDP-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole (CID 79824864) is 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole is CC1C(Br)CCC1Cc1nccs1.
What is the InChIKey of 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole?
The InChIKey is JZOKDXKPYGVDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7-8(2-3-9(7)11)6-10-12-4-5-13-10/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole?
2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole has a molecular weight of 260.20 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole is sourced from PubChem (CID 79824864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).