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

C16H19N3OS — CID 81369770

IUPAC(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1nc2sccn2c1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H19N3OS/c1-11-5-4-6-13(9-11)12(2)17-10-14-15(20-3)18-16-19(14)7-8-21-16/h4-9,12,17H,10H2,1-3H3/t12-/m0/s1
InChIKeyOAIIUUIJVFCHIC-LBPRGKRZSA-N
MW301.42 g/mol
LogP3.56
Rot. Bonds5

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

(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81369770) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81369770
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1nc2sccn2c1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H19N3OS/c1-11-5-4-6-13(9-11)12(2)17-10-14-15(20-3)18-16-19(14)7-8-21-16/h4-9,12,17H,10H2,1-3H3/t12-/m0/s1
InChIKeyOAIIUUIJVFCHIC-LBPRGKRZSA-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

(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
1-(2-bromophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43780223
(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81367471
2-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946403
1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82709719
(1R)-1-cyclohexyl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81385166
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]octan-4-amine
CID 106023556
(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369608
(1S)-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369959

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81369770) is (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is COc1nc2sccn2c1CN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is OAIIUUIJVFCHIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-5-4-6-13(9-11)12(2)17-10-14-15(20-3)18-16-19(14)7-8-21-16/h4-9,12,17H,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)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)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81369770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).