2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole

C17H10N2OS — CID 44607090

IUPAC2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2oc(-c3cn4c(n3)sc3ccccc34)cc2c1
InChIInChI=1S/C17H10N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1-10H
InChIKeyWNYADNPQOKCZAF-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.96
Rot. Bonds1

About 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole

2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 44607090) has the molecular formula C17H10N2OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID44607090
Molecular FormulaC17H10N2OS
Molecular Weight290.35 g/mol
Exact Mass290.05
IUPAC Name2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESc1ccc2oc(-c3cn4c(n3)sc3ccccc34)cc2c1
InChIInChI=1S/C17H10N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1-10H
InChIKeyWNYADNPQOKCZAF-UHFFFAOYSA-N
XLogP4.96
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
US9862730, Example 41
CID 89880953
US9862730, Example 47
CID 89880954
US9862730, Example 63
CID 89881089
5-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 2999109
Ethyl 2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxylate
CID 16011252
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166625289
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166629193
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
4-(1-Benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166632835
4-(1-benzofuran-2-yl)-2-[1-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166633163
4-(1-Benzofuran-2-yl)-2-[1-(imidazo[1,2-a]pyrazin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166634067

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 44607090) is 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole is c1ccc2oc(-c3cn4c(n3)sc3ccccc34)cc2c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is WNYADNPQOKCZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2OS/c1-3-7-14-11(5-1)9-15(20-14)12-10-19-13-6-2-4-8-16(13)21-17(19)18-12/h1-10H.
What are the key properties of 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole?
2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 290.35 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 44607090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).