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

C27H26N4O3S2 — CID 121038440

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCc4csc(-c5ccc(OC)cc5)n4)csc3n2)cc1
InChIInChI=1S/C27H26N4O3S2/c1-3-34-23-10-4-18(5-11-23)24-15-31-21(17-36-27(31)30-24)14-25(32)28-13-12-20-16-35-26(29-20)19-6-8-22(33-2)9-7-19/h4-11,15-17H,3,12-14H2,1-2H3,(H,28,32)
InChIKeyNNVVZVGNZHZARI-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.49
Rot. Bonds10

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 121038440) has the molecular formula C27H26N4O3S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID121038440
Molecular FormulaC27H26N4O3S2
Molecular Weight518.66 g/mol
Exact Mass518.14
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NCCc4csc(-c5ccc(OC)cc5)n4)csc3n2)cc1
InChIInChI=1S/C27H26N4O3S2/c1-3-34-23-10-4-18(5-11-23)24-15-31-21(17-36-27(31)30-24)14-25(32)28-13-12-20-16-35-26(29-20)19-6-8-22(33-2)9-7-19/h4-11,15-17H,3,12-14H2,1-2H3,(H,28,32)
InChIKeyNNVVZVGNZHZARI-UHFFFAOYSA-N
XLogP5.49
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121038447
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 121038438
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
N-[2-(4-methoxyphenyl)ethyl]-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509404
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 121038638
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 29044246
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide (CID 121038440) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NCCc4csc(-c5ccc(OC)cc5)n4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is NNVVZVGNZHZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S2/c1-3-34-23-10-4-18(5-11-23)24-15-31-21(17-36-27(31)30-24)14-25(32)28-13-12-20-16-35-26(29-20)19-6-8-22(33-2)9-7-19/h4-11,15-17H,3,12-14H2,1-2H3,(H,28,32).
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 518.66 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 121038440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).