N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline

C16H19N3OS — CID 60936482

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2c(C)nc3sc(C)cn23)c1
InChIInChI=1S/C16H19N3OS/c1-4-20-14-7-5-6-13(8-14)17-9-15-12(3)18-16-19(15)10-11(2)21-16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyBQGMERZBCSQIKI-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.02
Rot. Bonds5

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline (PubChem CID 60936482) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
PubChem CID60936482
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2c(C)nc3sc(C)cn23)c1
InChIInChI=1S/C16H19N3OS/c1-4-20-14-7-5-6-13(8-14)17-9-15-12(3)18-16-19(15)10-11(2)21-16/h5-8,10,17H,4,9H2,1-3H3
InChIKeyBQGMERZBCSQIKI-UHFFFAOYSA-N
XLogP4.02
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol
CID 110897388
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706476
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972
4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
CID 63999868
4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107619022
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-ethylpyrazol-4-amine
CID 43625903
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 60807858
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909047
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline (CID 60936482) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2c(C)nc3sc(C)cn23)c1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline?
The InChIKey is BQGMERZBCSQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-20-14-7-5-6-13(8-14)17-9-15-12(3)18-16-19(15)10-11(2)21-16/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline has a molecular weight of 301.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 60936482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).