(2-bromo-1,3-thiazol-4-yl) acetate

C5H4BrNO2S — CID 174587012

IUPAC(2-bromo-1,3-thiazol-4-yl) acetate
SMILESCC(=O)Oc1csc(Br)n1
InChIInChI=1S/C5H4BrNO2S/c1-3(8)9-4-2-10-5(6)7-4/h2H,1H3
InChIKeyDFAZKHHZBJOSOF-UHFFFAOYSA-N
MW222.06 g/mol
LogP1.83
Rot. Bonds1

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

(2-bromo-1,3-thiazol-4-yl) acetate (PubChem CID 174587012) has the molecular formula C5H4BrNO2S and a molecular weight of 222.06 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-4-yl) acetate.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-4-yl) acetate
PubChem CID174587012
Molecular FormulaC5H4BrNO2S
Molecular Weight222.06 g/mol
Exact Mass220.91
IUPAC Name(2-bromo-1,3-thiazol-4-yl) acetate
SMILESCC(=O)Oc1csc(Br)n1
InChIInChI=1S/C5H4BrNO2S/c1-3(8)9-4-2-10-5(6)7-4/h2H,1H3
InChIKeyDFAZKHHZBJOSOF-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.06
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-bromo-1,3-thiazol-4-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazol-4-yl acetate
CID 21661994
(2-Methyl-1,3-thiazol-4-yl) 2,2,2-trifluoroacetate
CID 153863956
(2-Chloro-1,3-thiazol-4-yl) 2,2-difluoroacetate
CID 175926041
(2-Bromo-1,3-thiazol-4-yl) ethyl carbonate
CID 17802332
(2-Methyl-1,3-thiazol-4-yl) butanoate
CID 20190991
(2-Chloro-1,3-thiazol-4-yl) butanoate
CID 20191004
(2-Methyl-1,3-thiazol-4-yl) propanoate
CID 42552675
1,3-Thiazol-4-yl propanoate
CID 54353842
(2-Methyl-1,3-thiazol-4-yl) acetate
CID 57319426
2-[(2-Methyl-1,3-thiazol-4-yl)oxy]ethyl acetate
CID 69467339
(2-Bromo-1,3-thiazol-4-yl) 2-oxoacetate
CID 87452913
(2-Bromo-1,3-thiazol-4-yl) formate
CID 88857719

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-4-yl) acetate?
The IUPAC name of (2-bromo-1,3-thiazol-4-yl) acetate (CID 174587012) is (2-bromo-1,3-thiazol-4-yl) acetate.
What is the SMILES notation for (2-bromo-1,3-thiazol-4-yl) acetate?
The canonical SMILES for (2-bromo-1,3-thiazol-4-yl) acetate is CC(=O)Oc1csc(Br)n1.
What is the InChIKey of (2-bromo-1,3-thiazol-4-yl) acetate?
The InChIKey is DFAZKHHZBJOSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2S/c1-3(8)9-4-2-10-5(6)7-4/h2H,1H3.
What are the key properties of (2-bromo-1,3-thiazol-4-yl) acetate?
(2-bromo-1,3-thiazol-4-yl) acetate has a molecular weight of 222.06 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-4-yl) acetate is sourced from PubChem (CID 174587012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).