6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C13H12N2S2 — CID 45257245

IUPAC6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(C3CN4CCSC4=N3)csc2c1
InChIInChI=1S/C13H12N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-4,8,11H,5-7H2
InChIKeyLCOWQEKBHXWLRW-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.36
Rot. Bonds1

About 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 45257245) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID45257245
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(C3CN4CCSC4=N3)csc2c1
InChIInChI=1S/C13H12N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-4,8,11H,5-7H2
InChIKeyLCOWQEKBHXWLRW-UHFFFAOYSA-N
XLogP3.36
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 45257245) is 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is c1ccc2c(C3CN4CCSC4=N3)csc2c1.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is LCOWQEKBHXWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-2-4-12-9(3-1)10(8-17-12)11-7-15-5-6-16-13(15)14-11/h1-4,8,11H,5-7H2.
What are the key properties of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 260.39 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 45257245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).