(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C16H19N3OS — CID 81389014

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1c(C)nc2sccn12
InChIInChI=1S/C16H19N3OS/c1-11(13-6-4-5-7-15(13)20-3)17-10-14-12(2)18-16-19(14)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1
InChIKeyZFRROBLIAFBICU-NSHDSACASA-N
MW301.42 g/mol
LogP3.56
Rot. Bonds5

About (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 81389014) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID81389014
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1c(C)nc2sccn12
InChIInChI=1S/C16H19N3OS/c1-11(13-6-4-5-7-15(13)20-3)17-10-14-12(2)18-16-19(14)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1
InChIKeyZFRROBLIAFBICU-NSHDSACASA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81367471
1-(2-bromophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43780223
1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 65047805
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 81389014) is (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is COc1ccccc1[C@H](C)NCc1c(C)nc2sccn12.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is ZFRROBLIAFBICU-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(13-6-4-5-7-15(13)20-3)17-10-14-12(2)18-16-19(14)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 301.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81389014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).