methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C11H7BrN2O2S2 — CID 107355250

IUPACmethyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3cc(Br)cs3)nc2s1
InChIInChI=1S/C11H7BrN2O2S2/c1-16-10(15)9-4-14-3-7(13-11(14)18-9)8-2-6(12)5-17-8/h2-5H,1H3
InChIKeyBVAPPFHCLPHGKM-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.67
Rot. Bonds2

About methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 107355250) has the molecular formula C11H7BrN2O2S2 and a molecular weight of 343.23 g/mol. Its IUPAC name is methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID107355250
Molecular FormulaC11H7BrN2O2S2
Molecular Weight343.23 g/mol
Exact Mass341.91
IUPAC Namemethyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCOC(=O)c1cn2cc(-c3cc(Br)cs3)nc2s1
InChIInChI=1S/C11H7BrN2O2S2/c1-16-10(15)9-4-14-3-7(13-11(14)18-9)8-2-6(12)5-17-8/h2-5H,1H3
InChIKeyBVAPPFHCLPHGKM-UHFFFAOYSA-N
XLogP3.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 107355251
methyl 6-(5-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298989
methyl 6-(2,5-difluoro-4-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384502
methyl 6-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 113298999
methyl 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115384515
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 59535530
methyl 6-hexylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 102626023
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 36995520
6-(5-fluoro-3-pyridinyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 114080787
6-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 106758853
2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyrimidine
CID 107355573

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 107355250) is methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is COC(=O)c1cn2cc(-c3cc(Br)cs3)nc2s1.
What is the InChIKey of methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is BVAPPFHCLPHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2S2/c1-16-10(15)9-4-14-3-7(13-11(14)18-9)8-2-6(12)5-17-8/h2-5H,1H3.
What are the key properties of methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 343.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-bromothiophen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 107355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).