N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C20H18N4O2S — CID 51123694

IUPACN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cc3cn4ccsc4n3)cn2)cc1C
InChIInChI=1S/C20H18N4O2S/c1-13-3-5-17(9-14(13)2)26-19-6-4-15(11-21-19)22-18(25)10-16-12-24-7-8-27-20(24)23-16/h3-9,11-12H,10H2,1-2H3,(H,22,25)
InChIKeyUFYYSFLSPWAENP-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.38
Rot. Bonds5

About N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 51123694) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID51123694
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESCc1ccc(Oc2ccc(NC(=O)Cc3cn4ccsc4n3)cn2)cc1C
InChIInChI=1S/C20H18N4O2S/c1-13-3-5-17(9-14(13)2)26-19-6-4-15(11-21-19)22-18(25)10-16-12-24-7-8-27-20(24)23-16/h3-9,11-12H,10H2,1-2H3,(H,22,25)
InChIKeyUFYYSFLSPWAENP-UHFFFAOYSA-N
XLogP4.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-fluorophenoxy)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 60538380
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18113438
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60518318
N-[2-[[6-(3,4-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55971881
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
CID 75456153
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40723170
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 51123694) is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is Cc1ccc(Oc2ccc(NC(=O)Cc3cn4ccsc4n3)cn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is UFYYSFLSPWAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-3-5-17(9-14(13)2)26-19-6-4-15(11-21-19)22-18(25)10-16-12-24-7-8-27-20(24)23-16/h3-9,11-12H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 378.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 51123694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).