2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole

C18H11ClN2OS — CID 44607261

IUPAC2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4o3)cn12
InChIInChI=1S/C18H11ClN2OS/c1-10-2-4-14-17(6-10)23-18-20-13(9-21(14)18)16-8-11-7-12(19)3-5-15(11)22-16/h2-9H,1H3
InChIKeyRYZVKJVOORNFCR-UHFFFAOYSA-N
MW338.82 g/mol
LogP5.92
Rot. Bonds1

About 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole

2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 44607261) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID44607261
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCc1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4o3)cn12
InChIInChI=1S/C18H11ClN2OS/c1-10-2-4-14-17(6-10)23-18-20-13(9-21(14)18)16-8-11-7-12(19)3-5-15(11)22-16/h2-9H,1H3
InChIKeyRYZVKJVOORNFCR-UHFFFAOYSA-N
XLogP5.92
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.82
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(5-methyl-1-benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607435
3-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12811336
2-(2,4-dichlorophenyl)-6-ethylimidazo[2,1-b][1,3]benzothiazole
CID 4837145
4-chloro-2-(5-methyl-1-benzofuran-2-yl)pyridine
CID 102825203
[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]phosphane
CID 145482411
2-(4-chlorophenyl)-6-methylsulfonylimidazo[2,1-b][1,3]benzothiazole
CID 1211584
2-(2,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazole
CID 735306
2-chloro-4-(5-chloro-1-benzofuran-2-yl)-6-methylpyrimidine
CID 114734206
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
6-bromo-3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
CID 1119398
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
6-chloro-3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)chromen-2-one
CID 56964291

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole (CID 44607261) is 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole is Cc1ccc2c(c1)sc1nc(-c3cc4cc(Cl)ccc4o3)cn12.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is RYZVKJVOORNFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c1-10-2-4-14-17(6-10)23-18-20-13(9-21(14)18)16-8-11-7-12(19)3-5-15(11)22-16/h2-9H,1H3.
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole?
2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 338.82 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-2-yl)-6-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 44607261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).