4-(1-bromoethyl)-1,3-thiazole

C5H6BrNS — CID 152637263

IUPAC4-(1-bromoethyl)-1,3-thiazole
SMILESCC(Br)c1cscn1
InChIInChI=1S/C5H6BrNS/c1-4(6)5-2-8-3-7-5/h2-4H,1H3
InChIKeyZEUKNFGVMQQGDS-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.60
Rot. Bonds1

About 4-(1-bromoethyl)-1,3-thiazole

4-(1-bromoethyl)-1,3-thiazole (PubChem CID 152637263) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 4-(1-bromoethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1-bromoethyl)-1,3-thiazole
PubChem CID152637263
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name4-(1-bromoethyl)-1,3-thiazole
SMILESCC(Br)c1cscn1
InChIInChI=1S/C5H6BrNS/c1-4(6)5-2-8-3-7-5/h2-4H,1H3
InChIKeyZEUKNFGVMQQGDS-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.60
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 4-(1-bromoethyl)-1,3-thiazole?
The IUPAC name of 4-(1-bromoethyl)-1,3-thiazole (CID 152637263) is 4-(1-bromoethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1-bromoethyl)-1,3-thiazole?
The canonical SMILES for 4-(1-bromoethyl)-1,3-thiazole is CC(Br)c1cscn1.
What is the InChIKey of 4-(1-bromoethyl)-1,3-thiazole?
The InChIKey is ZEUKNFGVMQQGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-4(6)5-2-8-3-7-5/h2-4H,1H3.
What are the key properties of 4-(1-bromoethyl)-1,3-thiazole?
4-(1-bromoethyl)-1,3-thiazole has a molecular weight of 192.08 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-1,3-thiazole is sourced from PubChem (CID 152637263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).