N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C22H19N5O2S — CID 16593057

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2ccccc21
InChIInChI=1S/C22H19N5O2S/c1-25-18-4-2-3-5-19(18)27(22(25)29)11-10-20(28)23-16-8-6-15(7-9-16)17-14-26-12-13-30-21(26)24-17/h2-9,12-14H,10-11H2,1H3,(H,23,28)
InChIKeyYTJNLSNSFQMSNW-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.74
Rot. Bonds5

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16593057) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16593057
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2ccccc21
InChIInChI=1S/C22H19N5O2S/c1-25-18-4-2-3-5-19(18)27(22(25)29)11-10-20(28)23-16-8-6-15(7-9-16)17-14-26-12-13-30-21(26)24-17/h2-9,12-14H,10-11H2,1H3,(H,23,28)
InChIKeyYTJNLSNSFQMSNW-UHFFFAOYSA-N
XLogP3.74
TPSA73.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 112765195
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573518
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 24575916
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16593057) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2ccccc21.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is YTJNLSNSFQMSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-25-18-4-2-3-5-19(18)27(22(25)29)11-10-20(28)23-16-8-6-15(7-9-16)17-14-26-12-13-30-21(26)24-17/h2-9,12-14H,10-11H2,1H3,(H,23,28).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 417.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16593057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).