6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole

C16H14N2OS — CID 115403398

IUPAC6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCCc1c(-c2cn3c(C)csc3n2)oc2ccccc12
InChIInChI=1S/C16H14N2OS/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-18-10(2)9-20-16(18)17-13/h4-9H,3H2,1-2H3
InChIKeyUDQAHKMKOFWJOV-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.68
Rot. Bonds2

About 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole

6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 115403398) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID115403398
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCCc1c(-c2cn3c(C)csc3n2)oc2ccccc12
InChIInChI=1S/C16H14N2OS/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-18-10(2)9-20-16(18)17-13/h4-9H,3H2,1-2H3
InChIKeyUDQAHKMKOFWJOV-UHFFFAOYSA-N
XLogP4.68
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-naphthalen-1-ylimidazo[2,1-b][1,3]thiazole
CID 68740034
4-(3-ethyl-1-benzofuran-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 62942165
2-[4-(3-ethyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 104513350
6-(3-ethyl-1-benzofuran-2-yl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252280
1-[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111513
3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazole-4-carbaldehyde
CID 43141289
[3-(3-ethyl-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methanamine
CID 79484527
6-(2,4-difluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115281760
4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-amine
CID 8878295
5-(3-ethyl-1-benzofuran-2-yl)-N-propyl-1H-pyrazol-3-amine
CID 63529269
3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
CID 114763761
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole (CID 115403398) is 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole is CCc1c(-c2cn3c(C)csc3n2)oc2ccccc12.
What is the InChIKey of 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is UDQAHKMKOFWJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-3-11-12-6-4-5-7-14(12)19-15(11)13-8-18-10(2)9-20-16(18)17-13/h4-9H,3H2,1-2H3.
What are the key properties of 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole?
6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 282.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-benzofuran-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115403398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).