3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C14H12N2OS — CID 10220730

IUPAC3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2coc3ccccc23)N2CCN=C2S1
InChIInChI=1S/C14H12N2OS/c1-9-13(16-7-6-15-14(16)18-9)11-8-17-12-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3
InChIKeyYKPWYROQKGABLH-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.54
Rot. Bonds1

About 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 10220730) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID10220730
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2coc3ccccc23)N2CCN=C2S1
InChIInChI=1S/C14H12N2OS/c1-9-13(16-7-6-15-14(16)18-9)11-8-17-12-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3
InChIKeyYKPWYROQKGABLH-UHFFFAOYSA-N
XLogP3.54
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 10220730) is 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1=C(c2coc3ccccc23)N2CCN=C2S1.
What is the InChIKey of 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is YKPWYROQKGABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-13(16-7-6-15-14(16)18-9)11-8-17-12-5-3-2-4-10(11)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 256.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 10220730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).