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

C15H16FN3OS — CID 81350416

IUPAC(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1nc2sccn2c1CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c1-10(11-3-5-12(16)6-4-11)17-9-13-14(20-2)18-15-19(13)7-8-21-15/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyWHEZOHHCRHZBKM-JTQLQIEISA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds5

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

(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (PubChem CID 81350416) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
PubChem CID81350416
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
SMILESCOc1nc2sccn2c1CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3OS/c1-10(11-3-5-12(16)6-4-11)17-9-13-14(20-2)18-15-19(13)7-8-21-15/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1
InChIKeyWHEZOHHCRHZBKM-JTQLQIEISA-N
XLogP3.39
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369770
(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
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
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)-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
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine (CID 81350416) is (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is COc1nc2sccn2c1CN[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
The InChIKey is WHEZOHHCRHZBKM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-10(11-3-5-12(16)6-4-11)17-9-13-14(20-2)18-15-19(13)7-8-21-15/h3-8,10,17H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine has a molecular weight of 305.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81350416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).