(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

C16H19N3OS — CID 81367471

IUPAC(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2c(C)nc3sccn23)cc1
InChIInChI=1S/C16H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-10-15-12(2)18-16-19(15)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m1/s1
InChIKeyHHJMKFSKPABSBP-LLVKDONJSA-N
MW301.42 g/mol
LogP3.56
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine

(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 81367471) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID81367471
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NCc2c(C)nc3sccn23)cc1
InChIInChI=1S/C16H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-10-15-12(2)18-16-19(15)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m1/s1
InChIKeyHHJMKFSKPABSBP-LLVKDONJSA-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-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369770
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
CID 61245388
(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 97235624
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
N-(2-methoxyethoxy)-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82715198
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
1-(2-bromophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43780223

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 81367471) is (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is COc1ccc([C@@H](C)NCc2c(C)nc3sccn23)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is HHJMKFSKPABSBP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(13-4-6-14(20-3)7-5-13)17-10-15-12(2)18-16-19(15)8-9-21-16/h4-9,11,17H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
(1R)-1-(4-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 (1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81367471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).