2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C17H19N3O2S — CID 97021277

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C17H19N3O2S/c1-12(14-6-4-5-7-15(14)22-3)19(2)16(21)10-13-11-20-8-9-23-17(20)18-13/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyDINQEEVQKBZTIR-GFCCVEGCSA-N
MW329.43 g/mol
LogP3.17
Rot. Bonds5

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 97021277) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID97021277
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C17H19N3O2S/c1-12(14-6-4-5-7-15(14)22-3)19(2)16(21)10-13-11-20-8-9-23-17(20)18-13/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyDINQEEVQKBZTIR-GFCCVEGCSA-N
XLogP3.17
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 70765723
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 31670556
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332162
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134054605
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-ol
CID 115332159
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111281510
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]-N-methylethanamine
CID 115331313
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 46432216
N-[1-(3-ethoxyphenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51097716
N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 31448979

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 97021277) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide is COc1ccccc1[C@@H](C)N(C)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is DINQEEVQKBZTIR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(14-6-4-5-7-15(14)22-3)19(2)16(21)10-13-11-20-8-9-23-17(20)18-13/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 329.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 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-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 97021277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).