ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate

C12H12BrNO2S2 — CID 103485198

IUPACethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrNO2S2/c1-2-16-11(15)6-3-8-7-17-12(14-8)9-4-5-10(13)18-9/h4-5,7H,2-3,6H2,1H3
InChIKeyKWFBNSAJRSJFIW-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.13
Rot. Bonds5

About ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485198) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485198
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC Nameethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrNO2S2/c1-2-16-11(15)6-3-8-7-17-12(14-8)9-4-5-10(13)18-9/h4-5,7H,2-3,6H2,1H3
InChIKeyKWFBNSAJRSJFIW-UHFFFAOYSA-N
XLogP4.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate 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

3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485307
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 80573381
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485128
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485197
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
CID 122145273

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate (CID 103485198) is ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(-c2ccc(Br)s2)n1.
What is the InChIKey of ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is KWFBNSAJRSJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c1-2-16-11(15)6-3-8-7-17-12(14-8)9-4-5-10(13)18-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 346.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).