2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

C20H14N4OS3 — CID 35607833

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H14N4OS3/c25-18(12-27-20-23-15-3-1-2-4-17(15)28-20)21-14-7-5-13(6-8-14)16-11-24-9-10-26-19(24)22-16/h1-11H,12H2,(H,21,25)
InChIKeySESUUPKJKXOWAG-UHFFFAOYSA-N
MW422.56 g/mol
LogP5.40
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (PubChem CID 35607833) has the molecular formula C20H14N4OS3 and a molecular weight of 422.56 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
PubChem CID35607833
Molecular FormulaC20H14N4OS3
Molecular Weight422.56 g/mol
Exact Mass422.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H14N4OS3/c25-18(12-27-20-23-15-3-1-2-4-17(15)28-20)21-14-7-5-13(6-8-14)16-11-24-9-10-26-19(24)22-16/h1-11H,12H2,(H,21,25)
InChIKeySESUUPKJKXOWAG-UHFFFAOYSA-N
XLogP5.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (CID 35607833) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The InChIKey is SESUUPKJKXOWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS3/c25-18(12-27-20-23-15-3-1-2-4-17(15)28-20)21-14-7-5-13(6-8-14)16-11-24-9-10-26-19(24)22-16/h1-11H,12H2,(H,21,25).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide has a molecular weight of 422.56 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is sourced from PubChem (CID 35607833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).