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

C15H16ClN3OS — CID 97235624

IUPAC(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H16ClN3OS/c1-10(13-14(16)18-15-19(13)7-8-21-15)17-9-11-3-5-12(20-2)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyNXMKKFOSXQBLEJ-JTQLQIEISA-N
MW321.83 g/mol
LogP3.91
Rot. Bonds5

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

(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 97235624) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID97235624
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2c(Cl)nc3sccn23)cc1
InChIInChI=1S/C15H16ClN3OS/c1-10(13-14(16)18-15-19(13)7-8-21-15)17-9-11-3-5-12(20-2)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyNXMKKFOSXQBLEJ-JTQLQIEISA-N
XLogP3.91
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine with MolForge

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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
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
N-[1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethyl]propan-1-amine
CID 115977393
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81350416
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114800
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 8856869
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 (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine (CID 97235624) is (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is COc1ccc(CN[C@@H](C)c2c(Cl)nc3sccn23)cc1.
What is the InChIKey of (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is NXMKKFOSXQBLEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-10(13-14(16)18-15-19(13)7-8-21-15)17-9-11-3-5-12(20-2)6-4-11/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine?
(1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 321.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 97235624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).