N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide

C29H29N3O4S — CID 4685024

IUPACN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)C(=O)CCc4ccccc4)csc3n2)c1
InChIInChI=1S/C29H29N3O4S/c1-34-23-11-12-27(35-2)25(17-23)26-19-32-22(20-37-29(32)30-26)14-15-31(18-24-9-6-16-36-24)28(33)13-10-21-7-4-3-5-8-21/h3-9,11-12,16-17,19-20H,10,13-15,18H2,1-2H3
InChIKeyNQFJRQXWEPDRMR-UHFFFAOYSA-N
MW515.64 g/mol
LogP5.88
Rot. Bonds11

About N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide

N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 4685024) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
PubChem CID4685024
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC NameN-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESCOc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)C(=O)CCc4ccccc4)csc3n2)c1
InChIInChI=1S/C29H29N3O4S/c1-34-23-11-12-27(35-2)25(17-23)26-19-32-22(20-37-29(32)30-26)14-15-31(18-24-9-6-16-36-24)28(33)13-10-21-7-4-3-5-8-21/h3-9,11-12,16-17,19-20H,10,13-15,18H2,1-2H3
InChIKeyNQFJRQXWEPDRMR-UHFFFAOYSA-N
XLogP5.88
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.64
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide 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-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 4099600
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 42793074
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 42793057
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 4172465
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 5240199
N-(furan-2-ylmethyl)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 4172947
N-(furan-2-ylmethyl)-4-methyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3508560
N-(furan-2-ylmethyl)-4-methyl-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5051801
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)acetamide
CID 42793061
1-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-naphthalen-1-yl-1-(oxolan-2-ylmethyl)urea
CID 3555212
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 5057421

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide (CID 4685024) is N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide is COc1ccc(OC)c(-c2cn3c(CCN(Cc4ccco4)C(=O)CCc4ccccc4)csc3n2)c1.
What is the InChIKey of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is NQFJRQXWEPDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-34-23-11-12-27(35-2)25(17-23)26-19-32-22(20-37-29(32)30-26)14-15-31(18-24-9-6-16-36-24)28(33)13-10-21-7-4-3-5-8-21/h3-9,11-12,16-17,19-20H,10,13-15,18H2,1-2H3.
What are the key properties of N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide?
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 515.64 g/mol, XLogP of 5.88, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 4685024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).