N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide

C33H29N3OS — CID 4138753

IUPACN-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccccc1
InChIInChI=1S/C33H29N3OS/c37-32(18-15-25-9-3-1-4-10-25)35(22-26-11-5-2-6-12-26)20-19-30-24-38-33-34-31(23-36(30)33)29-17-16-27-13-7-8-14-28(27)21-29/h1-14,16-17,21,23-24H,15,18-20,22H2
InChIKeyUYICKMONUGWDFS-UHFFFAOYSA-N
MW515.68 g/mol
LogP7.42
Rot. Bonds9

About N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide

N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 4138753) has the molecular formula C33H29N3OS and a molecular weight of 515.68 g/mol. Its IUPAC name is N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID4138753
Molecular FormulaC33H29N3OS
Molecular Weight515.68 g/mol
Exact Mass515.20
IUPAC NameN-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccccc1
InChIInChI=1S/C33H29N3OS/c37-32(18-15-25-9-3-1-4-10-25)35(22-26-11-5-2-6-12-26)20-19-30-24-38-33-34-31(23-36(30)33)29-17-16-27-13-7-8-14-28(27)21-29/h1-14,16-17,21,23-24H,15,18-20,22H2
InChIKeyUYICKMONUGWDFS-UHFFFAOYSA-N
XLogP7.42
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 42793074
N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
CID 42788730
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-(2-methoxyethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2,2-diphenylacetamide
CID 3564728
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)-2,2-dimethyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 4172947
N-benzyl-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3586558
N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 4117252
N-[2-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 4685024

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide (CID 4138753) is N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is UYICKMONUGWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3OS/c37-32(18-15-25-9-3-1-4-10-25)35(22-26-11-5-2-6-12-26)20-19-30-24-38-33-34-31(23-36(30)33)29-17-16-27-13-7-8-14-28(27)21-29/h1-14,16-17,21,23-24H,15,18-20,22H2.
What are the key properties of N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide?
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 515.68 g/mol, XLogP of 7.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 4138753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).