[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol

C17H21N3O2S — CID 110897388

IUPAC[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2c(C)nc3sc(C)cn23)cc1CO
InChIInChI=1S/C17H21N3O2S/c1-4-22-16-6-5-14(7-13(16)10-21)18-8-15-12(3)19-17-20(15)9-11(2)23-17/h5-7,9,18,21H,4,8,10H2,1-3H3
InChIKeyCALFXLTYGXLPPS-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.52
Rot. Bonds6

About [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol

[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 110897388) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID110897388
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2c(C)nc3sc(C)cn23)cc1CO
InChIInChI=1S/C17H21N3O2S/c1-4-22-16-6-5-14(7-13(16)10-21)18-8-15-12(3)19-17-20(15)9-11(2)23-17/h5-7,9,18,21H,4,8,10H2,1-3H3
InChIKeyCALFXLTYGXLPPS-UHFFFAOYSA-N
XLogP3.52
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
CID 60936482
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
CID 63999868
4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706476
1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43625921
4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107619022
4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60942648
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-ethylpyrazol-4-amine
CID 43625903
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol (CID 110897388) is [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2c(C)nc3sc(C)cn23)cc1CO.
What is the InChIKey of [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is CALFXLTYGXLPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-4-22-16-6-5-14(7-13(16)10-21)18-8-15-12(3)19-17-20(15)9-11(2)23-17/h5-7,9,18,21H,4,8,10H2,1-3H3.
What are the key properties of [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 331.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 110897388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).