3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide

C15H13BrN2O4S — CID 118902978

IUPAC3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide
SMILESBr.COc1ccc2oc(C3=C(C(=O)O)SC4=NCCN43)cc2c1
InChIInChI=1S/C15H12N2O4S.BrH/c1-20-9-2-3-10-8(6-9)7-11(21-10)12-13(14(18)19)22-15-16-4-5-17(12)15;/h2-3,6-7H,4-5H2,1H3,(H,18,19);1H
InChIKeyPAEVXZVQFOKPLY-UHFFFAOYSA-N
MW397.25 g/mol
LogP3.19
Rot. Bonds3

About 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide

3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide (PubChem CID 118902978) has the molecular formula C15H13BrN2O4S and a molecular weight of 397.25 g/mol. Its IUPAC name is 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide
PubChem CID118902978
Molecular FormulaC15H13BrN2O4S
Molecular Weight397.25 g/mol
Exact Mass395.98
IUPAC Name3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide
SMILESBr.COc1ccc2oc(C3=C(C(=O)O)SC4=NCCN43)cc2c1
InChIInChI=1S/C15H12N2O4S.BrH/c1-20-9-2-3-10-8(6-9)7-11(21-10)12-13(14(18)19)22-15-16-4-5-17(12)15;/h2-3,6-7H,4-5H2,1H3,(H,18,19);1H
InChIKeyPAEVXZVQFOKPLY-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide with MolForge

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Related Compounds

5-(5-methoxy-1-benzofuran-2-yl)-1H-pyrazole-3-carboxylic acid
CID 5115060
3-(5-methoxy-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473659
5-(5-methoxy-1-benzofuran-2-yl)-1,2-oxazol-4-amine
CID 115109669
8-chloro-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 5014562
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-fluoro-3-(5-methoxy-1-benzofuran-2-yl)pyridine
CID 141295265
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
2-[5-(4-methoxyphenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 22083539
2-(5-methoxy-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid
CID 4006180
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
CID 20931234
2-methyl-3-(2-methyl-1-benzofuran-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142130991

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide?
The IUPAC name of 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide (CID 118902978) is 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide.
What is the SMILES notation for 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide?
The canonical SMILES for 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide is Br.COc1ccc2oc(C3=C(C(=O)O)SC4=NCCN43)cc2c1.
What is the InChIKey of 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide?
The InChIKey is PAEVXZVQFOKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S.BrH/c1-20-9-2-3-10-8(6-9)7-11(21-10)12-13(14(18)19)22-15-16-4-5-17(12)15;/h2-3,6-7H,4-5H2,1H3,(H,18,19);1H.
What are the key properties of 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide?
3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide has a molecular weight of 397.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 118902978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).