N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

C19H23N3O2S — CID 40509202

IUPACN-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12
InChIInChI=1S/C19H23N3O2S/c1-3-5-10-20-18(23)11-15-13-25-19-21-17(12-22(15)19)14-6-8-16(9-7-14)24-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyUGKKMBLNTHRNSF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.92
Rot. Bonds8

About N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide

N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 40509202) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
PubChem CID40509202
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
SMILESCCCCNC(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12
InChIInChI=1S/C19H23N3O2S/c1-3-5-10-20-18(23)11-15-13-25-19-21-17(12-22(15)19)14-6-8-16(9-7-14)24-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyUGKKMBLNTHRNSF-UHFFFAOYSA-N
XLogP3.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
2-(4-Methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 848469
N,N-diethyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3238337
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
3,4-dimethoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 3238659
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3239406
6-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241138
N-isopropyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3241505
6-(4-methoxyphenyl)-3-methyl-N-(6-methylpyridin-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3242860
N-(5-acetamido-2-methoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3244553
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide
CID 5158448
N-tert-butyl-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5158449

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 40509202) is N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is CCCCNC(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12.
What is the InChIKey of N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
The InChIKey is UGKKMBLNTHRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-5-10-20-18(23)11-15-13-25-19-21-17(12-22(15)19)14-6-8-16(9-7-14)24-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide?
N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 40509202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).