5-(2-bromoethyl)-1,3-thiazole

C5H6BrNS — CID 112756237

IUPAC5-(2-bromoethyl)-1,3-thiazole
SMILESBrCCc1cncs1
InChIInChI=1S/C5H6BrNS/c6-2-1-5-3-7-4-8-5/h3-4H,1-2H2
InChIKeyRPRWIWZJKAEHON-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.08
Rot. Bonds2

About 5-(2-bromoethyl)-1,3-thiazole

5-(2-bromoethyl)-1,3-thiazole (PubChem CID 112756237) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 5-(2-bromoethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-bromoethyl)-1,3-thiazole
PubChem CID112756237
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name5-(2-bromoethyl)-1,3-thiazole
SMILESBrCCc1cncs1
InChIInChI=1S/C5H6BrNS/c6-2-1-5-3-7-4-8-5/h3-4H,1-2H2
InChIKeyRPRWIWZJKAEHON-UHFFFAOYSA-N
XLogP2.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.08
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 5-(2-bromoethyl)-1,3-thiazole?
The IUPAC name of 5-(2-bromoethyl)-1,3-thiazole (CID 112756237) is 5-(2-bromoethyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-bromoethyl)-1,3-thiazole?
The canonical SMILES for 5-(2-bromoethyl)-1,3-thiazole is BrCCc1cncs1.
What is the InChIKey of 5-(2-bromoethyl)-1,3-thiazole?
The InChIKey is RPRWIWZJKAEHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c6-2-1-5-3-7-4-8-5/h3-4H,1-2H2.
What are the key properties of 5-(2-bromoethyl)-1,3-thiazole?
5-(2-bromoethyl)-1,3-thiazole has a molecular weight of 192.08 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-1,3-thiazole is sourced from PubChem (CID 112756237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).