2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

C22H19N5OS2 — CID 112765195

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)nc2ccccc21
InChIInChI=1S/C22H19N5OS2/c1-2-27-19-6-4-3-5-17(19)24-22(27)30-14-20(28)23-16-9-7-15(8-10-16)18-13-26-11-12-29-21(26)25-18/h3-13H,2,14H2,1H3,(H,23,28)
InChIKeyQATGBCOUVQMYQV-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.16
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (PubChem CID 112765195) has the molecular formula C22H19N5OS2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
PubChem CID112765195
Molecular FormulaC22H19N5OS2
Molecular Weight433.56 g/mol
Exact Mass433.10
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)nc2ccccc21
InChIInChI=1S/C22H19N5OS2/c1-2-27-19-6-4-3-5-17(19)24-22(27)30-14-20(28)23-16-9-7-15(8-10-16)18-13-26-11-12-29-21(26)25-18/h3-13H,2,14H2,1H3,(H,23,28)
InChIKeyQATGBCOUVQMYQV-UHFFFAOYSA-N
XLogP5.16
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide with MolForge

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 55305652
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 24513193
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide (CID 112765195) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is CCn1c(SCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
The InChIKey is QATGBCOUVQMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS2/c1-2-27-19-6-4-3-5-17(19)24-22(27)30-14-20(28)23-16-9-7-15(8-10-16)18-13-26-11-12-29-21(26)25-18/h3-13H,2,14H2,1H3,(H,23,28).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide has a molecular weight of 433.56 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide is sourced from PubChem (CID 112765195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).