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

C16H16N2OS2 — CID 22474044

IUPAC2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1cc2c(C3=C(CCO)SC4=NCCN43)cccc2s1
InChIInChI=1S/C16H16N2OS2/c1-10-9-12-11(3-2-4-13(12)20-10)15-14(5-8-19)21-16-17-6-7-18(15)16/h2-4,9,19H,5-8H2,1H3
InChIKeyNVFZVFKACMUHRX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.68
Rot. Bonds3

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

2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22474044) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22474044
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCc1cc2c(C3=C(CCO)SC4=NCCN43)cccc2s1
InChIInChI=1S/C16H16N2OS2/c1-10-9-12-11(3-2-4-13(12)20-10)15-14(5-8-19)21-16-17-6-7-18(15)16/h2-4,9,19H,5-8H2,1H3
InChIKeyNVFZVFKACMUHRX-UHFFFAOYSA-N
XLogP3.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22474044) is 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is Cc1cc2c(C3=C(CCO)SC4=NCCN43)cccc2s1.
What is the InChIKey of 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is NVFZVFKACMUHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-10-9-12-11(3-2-4-13(12)20-10)15-14(5-8-19)21-16-17-6-7-18(15)16/h2-4,9,19H,5-8H2,1H3.
What are the key properties of 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 316.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).