N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C19H23N3O3S — CID 40722992

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOc1ccc(CCNC(=O)Cc2cn3ccsc3n2)cc1OCC
InChIInChI=1S/C19H23N3O3S/c1-3-24-16-6-5-14(11-17(16)25-4-2)7-8-20-18(23)12-15-13-22-9-10-26-19(22)21-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,20,23)
InChIKeyCQRMOLMSELCGSL-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 40722992) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID40722992
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCCOc1ccc(CCNC(=O)Cc2cn3ccsc3n2)cc1OCC
InChIInChI=1S/C19H23N3O3S/c1-3-24-16-6-5-14(11-17(16)25-4-2)7-8-20-18(23)12-15-13-22-9-10-26-19(22)21-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,20,23)
InChIKeyCQRMOLMSELCGSL-UHFFFAOYSA-N
XLogP3.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine;hydroiodide
CID 111245832
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150814
N-[4-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38709121
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenoxyethyl)acetamide
CID 32933501
N-[2-(3-ethoxycyclobutyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 126773652
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 74238451
N-[4-[[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]methyl]phenyl]butanamide
CID 55781902
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 40722992) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is CCOc1ccc(CCNC(=O)Cc2cn3ccsc3n2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is CQRMOLMSELCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-24-16-6-5-14(11-17(16)25-4-2)7-8-20-18(23)12-15-13-22-9-10-26-19(22)21-15/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 373.48 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 40722992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).