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

C13H10N2S2 — CID 51071985

IUPAC3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(c2csc3ccccc23)N2CCN=C2S1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(7-16-12)11-8-17-13-14-5-6-15(11)13/h1-4,7-8H,5-6H2
InChIKeyBKCZXQQTZPBRPV-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.62
Rot. Bonds1

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

3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 51071985) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID51071985
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESC1=C(c2csc3ccccc23)N2CCN=C2S1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(7-16-12)11-8-17-13-14-5-6-15(11)13/h1-4,7-8H,5-6H2
InChIKeyBKCZXQQTZPBRPV-UHFFFAOYSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 51071985) is 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is C1=C(c2csc3ccccc23)N2CCN=C2S1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is BKCZXQQTZPBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-4-12-9(3-1)10(7-16-12)11-8-17-13-14-5-6-15(11)13/h1-4,7-8H,5-6H2.
What are the key properties of 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 258.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 51071985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).