N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H22N4OS — CID 166179274

IUPACN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1(CNC(=O)c2cn3ccnc3s2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N4OS/c1-19(7-9-22(14-19)11-15-5-3-2-4-6-15)13-21-17(24)16-12-23-10-8-20-18(23)25-16/h2-6,8,10,12H,7,9,11,13-14H2,1H3,(H,21,24)
InChIKeyCSLXESTULGKKHE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.04
Rot. Bonds5

About N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 166179274) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID166179274
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1(CNC(=O)c2cn3ccnc3s2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22N4OS/c1-19(7-9-22(14-19)11-15-5-3-2-4-6-15)13-21-17(24)16-12-23-10-8-20-18(23)25-16/h2-6,8,10,12H,7,9,11,13-14H2,1H3,(H,21,24)
InChIKeyCSLXESTULGKKHE-UHFFFAOYSA-N
XLogP3.04
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide 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-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
1-benzyl-3-methyl-3-propylpyrrolidine;molecular hydrogen
CID 143853919
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 56861805
N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
5-[(1,3-dimethylpyrrolidin-3-yl)methylcarbamoyl]-4-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 131897342
N-[(1-benzyl-3-methylazetidin-3-yl)methyl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 91649679

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 166179274) is N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC1(CNC(=O)c2cn3ccnc3s2)CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is CSLXESTULGKKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-19(7-9-22(14-19)11-15-5-3-2-4-6-15)13-21-17(24)16-12-23-10-8-20-18(23)25-16/h2-6,8,10,12H,7,9,11,13-14H2,1H3,(H,21,24).
What are the key properties of N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 166179274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).