5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C22H21N3O2S — CID 134795862

IUPAC5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCCCc3ccccc3)nc3sccn23)c1
InChIInChI=1S/C22H21N3O2S/c1-27-18-11-5-10-17(15-18)20-19(24-22-25(20)13-14-28-22)21(26)23-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,23,26)
InChIKeyQHQRMHYYJZNKTC-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.43
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134795862) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134795862
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2c(C(=O)NCCCc3ccccc3)nc3sccn23)c1
InChIInChI=1S/C22H21N3O2S/c1-27-18-11-5-10-17(15-18)20-19(24-22-25(20)13-14-28-22)21(26)23-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,23,26)
InChIKeyQHQRMHYYJZNKTC-UHFFFAOYSA-N
XLogP4.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-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

5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800225
N-(3-methoxypropyl)-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797519
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800055
N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799295
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(3-phenylpropyl)benzamide
CID 46091667
6-phenyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 142505368
5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 171571702
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
2-(3-methoxyphenyl)-5-phenylmethoxy-N-(3-phenylpropyl)benzamide
CID 16663907
1-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067160
N-[2-(3-methoxyphenyl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271606
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134795862) is 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(-c2c(C(=O)NCCCc3ccccc3)nc3sccn23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QHQRMHYYJZNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-27-18-11-5-10-17(15-18)20-19(24-22-25(20)13-14-28-22)21(26)23-12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,13-15H,6,9,12H2,1H3,(H,23,26).
What are the key properties of 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134795862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).