N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide

C22H23N3O2S — CID 121031089

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c1
InChIInChI=1S/C22H23N3O2S/c1-14-9-15(2)11-19(10-14)27-16(3)21(26)23-18-6-4-5-17(12-18)20-13-25-7-8-28-22(25)24-20/h4-6,9-13,16H,7-8H2,1-3H3,(H,23,26)
InChIKeyAAPVSGPZEKMJCB-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.68
Rot. Bonds5

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 121031089) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
PubChem CID121031089
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c1
InChIInChI=1S/C22H23N3O2S/c1-14-9-15(2)11-19(10-14)27-16(3)21(26)23-18-6-4-5-17(12-18)20-13-25-7-8-28-22(25)24-20/h4-6,9-13,16H,7-8H2,1-3H3,(H,23,26)
InChIKeyAAPVSGPZEKMJCB-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121031083
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
CID 40506211
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 40506233
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121031180
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 40506234
2-(3-bromophenyl)-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 40506227
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 121017060

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide (CID 121031089) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)Nc2cccc(-c3cn4c(n3)SCC4)c2)c1.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is AAPVSGPZEKMJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-14-9-15(2)11-19(10-14)27-16(3)21(26)23-18-6-4-5-17(12-18)20-13-25-7-8-28-22(25)24-20/h4-6,9-13,16H,7-8H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 393.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 121031089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).