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

C13H13ClN2S2 — CID 45257244

IUPAC6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1ccc2c(C3CN4CCSC4=N3)csc2c1
InChIInChI=1S/C13H12N2S2.ClH/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;1H
InChIKeyQDCFUPAEQZAGJH-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.78
Rot. Bonds1

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

6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 45257244) has the molecular formula C13H13ClN2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID45257244
Molecular FormulaC13H13ClN2S2
Molecular Weight296.85 g/mol
Exact Mass296.02
IUPAC Name6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.c1ccc2c(C3CN4CCSC4=N3)csc2c1
InChIInChI=1S/C13H12N2S2.ClH/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;1H
InChIKeyQDCFUPAEQZAGJH-UHFFFAOYSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.78
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;hydrochloride?
The IUPAC name of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 45257244) is 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.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;hydrochloride?
The InChIKey is QDCFUPAEQZAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2.ClH/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;1H.
What are the key properties of 6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
6-(1-benzothiophen-3-yl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 296.85 g/mol, XLogP of 3.78, 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;hydrochloride is sourced from PubChem (CID 45257244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).