1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C16H16N2O2S — CID 142131047

IUPAC1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1cc(C2=C(C(C)O)SC3=NCCN32)cc2occc12
InChIInChI=1S/C16H16N2O2S/c1-9-7-11(8-13-12(9)3-6-20-13)14-15(10(2)19)21-16-17-4-5-18(14)16/h3,6-8,10,19H,4-5H2,1-2H3
InChIKeyVHPSOUWAPMFTER-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.21
Rot. Bonds2

About 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 142131047) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID142131047
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1cc(C2=C(C(C)O)SC3=NCCN32)cc2occc12
InChIInChI=1S/C16H16N2O2S/c1-9-7-11(8-13-12(9)3-6-20-13)14-15(10(2)19)21-16-17-4-5-18(14)16/h3,6-8,10,19H,4-5H2,1-2H3
InChIKeyVHPSOUWAPMFTER-UHFFFAOYSA-N
XLogP3.21
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 142131047) is 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is Cc1cc(C2=C(C(C)O)SC3=NCCN32)cc2occc12.
What is the InChIKey of 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is VHPSOUWAPMFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-7-11(8-13-12(9)3-6-20-13)14-15(10(2)19)21-16-17-4-5-18(14)16/h3,6-8,10,19H,4-5H2,1-2H3.
What are the key properties of 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 300.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1-benzofuran-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 142131047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).