ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate

C14H11BrN2O2S — CID 118716430

IUPACethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C14H11BrN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyDAWNYEAYDAVKIP-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.00
Rot. Bonds3

About ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate

ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (PubChem CID 118716430) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
PubChem CID118716430
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Nameethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc2scc(-c3ccc(Br)cc3)n12
InChIInChI=1S/C14H11BrN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3
InChIKeyDAWNYEAYDAVKIP-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
Ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067620
Ethyl 3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716429
Ethyl 6-[4-(propanoylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192451
Ethyl 6-[4-(prop-2-enoylamino)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192453
Ethyl 6-[4-[(5-bromo-2-pyridinyl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 122192458
Ethyl 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 394241
Ethyl 3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716422
Ethyl 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716423
Ethyl 3-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716424
Ethyl 3-phenylimidazo[2,1-b]thiazole-5-carboxylate
CID 118716425
Ethyl 3-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 118716427

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate (CID 118716430) is ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is CCOC(=O)c1cnc2scc(-c3ccc(Br)cc3)n12.
What is the InChIKey of ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
The InChIKey is DAWNYEAYDAVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-2-19-13(18)11-7-16-14-17(11)12(8-20-14)9-3-5-10(15)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate?
ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate has a molecular weight of 351.23 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 118716430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).