2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide

C21H19N3O2S — CID 55806275

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-20(12-18-14-24-10-11-27-21(24)23-18)22-13-17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,22,25)
InChIKeyWFXKSCYIJCKRRF-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.83
Rot. Bonds7

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 55806275) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID55806275
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(Cc1cn2ccsc2n1)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H19N3O2S/c25-20(12-18-14-24-10-11-27-21(24)23-18)22-13-17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,22,25)
InChIKeyWFXKSCYIJCKRRF-UHFFFAOYSA-N
XLogP3.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide (CID 55806275) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide is O=C(Cc1cn2ccsc2n1)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is WFXKSCYIJCKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(12-18-14-24-10-11-27-21(24)23-18)22-13-17-8-4-5-9-19(17)26-15-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,22,25).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55806275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).