1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

C16H16N2OS3 — CID 22473732

IUPAC1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCSc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12
InChIInChI=1S/C16H16N2OS3/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyRSJNHFLHSRPMPN-UHFFFAOYSA-N
MW348.52 g/mol
LogP4.09
Rot. Bonds3

About 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol

1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22473732) has the molecular formula C16H16N2OS3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22473732
Molecular FormulaC16H16N2OS3
Molecular Weight348.52 g/mol
Exact Mass348.04
IUPAC Name1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCSc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12
InChIInChI=1S/C16H16N2OS3/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3
InChIKeyRSJNHFLHSRPMPN-UHFFFAOYSA-N
XLogP4.09
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol with MolForge

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Related Compounds

[3-(1-Benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 9817417
3-(1-Benzothiophen-3-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 9861152
2-[3-(4-Fluoro-1-benzothiophen-6-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473620
3-(4-Fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473674
2-[3-(7-Fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473700
1-[3-(4-Fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473727
1-[3-(6-Fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473729
[3-(7-Fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22473768
2-[3-(7-Fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473790
1-[3-(7-Fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473834
2-[3-(4-Fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 22473860
[3-(7-Fluoro-1-benzothiophen-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]methanol
CID 22473865

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22473732) is 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is CSc1cccc2cc(C3=C(C(C)O)SC4=NCCN43)sc12.
What is the InChIKey of 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is RSJNHFLHSRPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS3/c1-9(19)14-13(18-7-6-17-16(18)22-14)12-8-10-4-3-5-11(20-2)15(10)21-12/h3-5,8-9,19H,6-7H2,1-2H3.
What are the key properties of 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol has a molecular weight of 348.52 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methylsulfanyl-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22473732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).