N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide

C25H27N3OS — CID 42788730

IUPACN-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
SMILESCC(C)CC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
InChIInChI=1S/C25H27N3OS/c1-19(2)15-24(29)27(16-20-9-5-3-6-10-20)14-13-22-18-30-25-26-23(17-28(22)25)21-11-7-4-8-12-21/h3-12,17-19H,13-16H2,1-2H3
InChIKeyKZPDNPDCRXZPAS-UHFFFAOYSA-N
MW417.58 g/mol
LogP5.68
Rot. Bonds8

About N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide

N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide (PubChem CID 42788730) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
PubChem CID42788730
Molecular FormulaC25H27N3OS
Molecular Weight417.58 g/mol
Exact Mass417.19
IUPAC NameN-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide
SMILESCC(C)CC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1
InChIInChI=1S/C25H27N3OS/c1-19(2)15-24(29)27(16-20-9-5-3-6-10-20)14-13-22-18-30-25-26-23(17-28(22)25)21-11-7-4-8-12-21/h3-12,17-19H,13-16H2,1-2H3
InChIKeyKZPDNPDCRXZPAS-UHFFFAOYSA-N
XLogP5.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.58
LogP ≤ 55.68
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-2-fluoro-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]benzamide
CID 3586558
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104
N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-3-phenylpropanamide
CID 4138753
1-benzyl-3-cyclohexyl-1-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]urea
CID 3312773
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-benzyl-2-fluoro-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]benzamide
CID 5065946
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 42793057
N-(3-methylbutyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939257
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-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4645323
N-benzyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide?
The IUPAC name of N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide (CID 42788730) is N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide?
The canonical SMILES for N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide is CC(C)CC(=O)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide?
The InChIKey is KZPDNPDCRXZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-19(2)15-24(29)27(16-20-9-5-3-6-10-20)14-13-22-18-30-25-26-23(17-28(22)25)21-11-7-4-8-12-21/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide?
N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide has a molecular weight of 417.58 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 42788730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).