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

C16H16N2OS3 — CID 22474177

IUPAC1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCSc1cc(C2=C(C(C)O)SC3=NCCN32)c2sccc2c1
InChIInChI=1S/C16H16N2OS3/c1-9(19)14-13(18-5-4-17-16(18)22-14)12-8-11(20-2)7-10-3-6-21-15(10)12/h3,6-9,19H,4-5H2,1-2H3
InChIKeyRPWDOEUARVLLDN-UHFFFAOYSA-N
MW348.52 g/mol
LogP4.09
Rot. Bonds3

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

1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (PubChem CID 22474177) has the molecular formula C16H16N2OS3 and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
PubChem CID22474177
Molecular FormulaC16H16N2OS3
Molecular Weight348.52 g/mol
Exact Mass348.04
IUPAC Name1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol
SMILESCSc1cc(C2=C(C(C)O)SC3=NCCN32)c2sccc2c1
InChIInChI=1S/C16H16N2OS3/c1-9(19)14-13(18-5-4-17-16(18)22-14)12-8-11(20-2)7-10-3-6-21-15(10)12/h3,6-9,19H,4-5H2,1-2H3
InChIKeyRPWDOEUARVLLDN-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The IUPAC name of 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol (CID 22474177) is 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The canonical SMILES for 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is CSc1cc(C2=C(C(C)O)SC3=NCCN32)c2sccc2c1.
What is the InChIKey of 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
The InChIKey is RPWDOEUARVLLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS3/c1-9(19)14-13(18-5-4-17-16(18)22-14)12-8-11(20-2)7-10-3-6-21-15(10)12/h3,6-9,19H,4-5H2,1-2H3.
What are the key properties of 1-[3-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol?
1-[3-(5-methylsulfanyl-1-benzothiophen-7-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-(5-methylsulfanyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]ethanol is sourced from PubChem (CID 22474177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).