1-(4-bromo-1,3-thiazol-2-yl)ethyl formate

C6H6BrNO2S — CID 174800577

IUPAC1-(4-bromo-1,3-thiazol-2-yl)ethyl formate
SMILESCC(OC=O)c1nc(Br)cs1
InChIInChI=1S/C6H6BrNO2S/c1-4(10-3-9)6-8-5(7)2-11-6/h2-4H,1H3
InChIKeyGLZSJXRZTFXGSC-UHFFFAOYSA-N
MW236.09 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate

1-(4-bromo-1,3-thiazol-2-yl)ethyl formate (PubChem CID 174800577) has the molecular formula C6H6BrNO2S and a molecular weight of 236.09 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)ethyl formate
PubChem CID174800577
Molecular FormulaC6H6BrNO2S
Molecular Weight236.09 g/mol
Exact Mass234.93
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)ethyl formate
SMILESCC(OC=O)c1nc(Br)cs1
InChIInChI=1S/C6H6BrNO2S/c1-4(10-3-9)6-8-5(7)2-11-6/h2-4H,1H3
InChIKeyGLZSJXRZTFXGSC-UHFFFAOYSA-N
XLogP2.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.09
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate (CID 174800577) is 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate is CC(OC=O)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate?
The InChIKey is GLZSJXRZTFXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S/c1-4(10-3-9)6-8-5(7)2-11-6/h2-4H,1H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate?
1-(4-bromo-1,3-thiazol-2-yl)ethyl formate has a molecular weight of 236.09 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)ethyl formate is sourced from PubChem (CID 174800577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).