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

C16H16N2O3S — CID 142130947

IUPAC2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCOc1cc(C2=C(CCO)SC3=NCCN32)c2ccoc2c1
InChIInChI=1S/C16H16N2O3S/c1-20-10-8-12(11-3-7-21-13(11)9-10)15-14(2-6-19)22-16-17-4-5-18(15)16/h3,7-9,19H,2,4-6H2,1H3
InChIKeyXYJAHTAKOLKPJS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.91
Rot. Bonds4

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

2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 142130947) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID142130947
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCOc1cc(C2=C(CCO)SC3=NCCN32)c2ccoc2c1
InChIInChI=1S/C16H16N2O3S/c1-20-10-8-12(11-3-7-21-13(11)9-10)15-14(2-6-19)22-16-17-4-5-18(15)16/h3,7-9,19H,2,4-6H2,1H3
InChIKeyXYJAHTAKOLKPJS-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 142130947) is 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is COc1cc(C2=C(CCO)SC3=NCCN32)c2ccoc2c1.
What is the InChIKey of 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is XYJAHTAKOLKPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-20-10-8-12(11-3-7-21-13(11)9-10)15-14(2-6-19)22-16-17-4-5-18(15)16/h3,7-9,19H,2,4-6H2,1H3.
What are the key properties of 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 316.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxy-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 142130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).