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

C20H23N3O3S — CID 40509230

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC[C@@H]4CCCO4)csc3n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-25-16-7-5-14(6-8-16)18-12-23-15(13-27-20(23)22-18)10-19(24)21-11-17-4-3-9-26-17/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyHRAWSEQONFUXRF-KRWDZBQOSA-N
MW385.49 g/mol
LogP3.30
Rot. Bonds7

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 40509230) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID40509230
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCOc1ccc(-c2cn3c(CC(=O)NC[C@@H]4CCCO4)csc3n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-25-16-7-5-14(6-8-16)18-12-23-15(13-27-20(23)22-18)10-19(24)21-11-17-4-3-9-26-17/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyHRAWSEQONFUXRF-KRWDZBQOSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43981545
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40509231
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
N-[[(2R)-oxolan-2-yl]methyl]-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 27376986
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
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
N-[3-(diethylamino)propyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509217
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
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-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121038440
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 25389385

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 40509230) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)NC[C@@H]4CCCO4)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is HRAWSEQONFUXRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-25-16-7-5-14(6-8-16)18-12-23-15(13-27-20(23)22-18)10-19(24)21-11-17-4-3-9-26-17/h5-8,12-13,17H,2-4,9-11H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40509230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).