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

C22H14N2OS3 — CID 54554473

IUPAC3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=CC1=C(c2csc3ccccc23)N2C(=NCC2c2csc3ccccc23)S1
InChIInChI=1S/C22H14N2OS3/c25-10-20-21(16-12-27-19-8-4-2-6-14(16)19)24-17(9-23-22(24)28-20)15-11-26-18-7-3-1-5-13(15)18/h1-8,10-12,17H,9H2
InChIKeyZMEPJSBNPVJAGB-UHFFFAOYSA-N
MW418.57 g/mol
LogP6.14
Rot. Bonds3

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

3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 54554473) has the molecular formula C22H14N2OS3 and a molecular weight of 418.57 g/mol. Its IUPAC name is 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID54554473
Molecular FormulaC22H14N2OS3
Molecular Weight418.57 g/mol
Exact Mass418.03
IUPAC Name3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=CC1=C(c2csc3ccccc23)N2C(=NCC2c2csc3ccccc23)S1
InChIInChI=1S/C22H14N2OS3/c25-10-20-21(16-12-27-19-8-4-2-6-14(16)19)24-17(9-23-22(24)28-20)15-11-26-18-7-3-1-5-13(15)18/h1-8,10-12,17H,9H2
InChIKeyZMEPJSBNPVJAGB-UHFFFAOYSA-N
XLogP6.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde (CID 54554473) is 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde is O=CC1=C(c2csc3ccccc23)N2C(=NCC2c2csc3ccccc23)S1.
What is the InChIKey of 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is ZMEPJSBNPVJAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2OS3/c25-10-20-21(16-12-27-19-8-4-2-6-14(16)19)24-17(9-23-22(24)28-20)15-11-26-18-7-3-1-5-13(15)18/h1-8,10-12,17H,9H2.
What are the key properties of 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde?
3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 418.57 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-benzothiophen-3-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 54554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).