3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline

C15H16BrN3S — CID 107630081

IUPAC3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline
SMILESCc1cn2c(CNc3cccc(Br)c3C)c(C)nc2s1
InChIInChI=1S/C15H16BrN3S/c1-9-8-19-14(11(3)18-15(19)20-9)7-17-13-6-4-5-12(16)10(13)2/h4-6,8,17H,7H2,1-3H3
InChIKeyQDVVLDSLTYJEJA-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.70
Rot. Bonds3

About 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline

3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline (PubChem CID 107630081) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline
PubChem CID107630081
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline
SMILESCc1cn2c(CNc3cccc(Br)c3C)c(C)nc2s1
InChIInChI=1S/C15H16BrN3S/c1-9-8-19-14(11(3)18-15(19)20-9)7-17-13-6-4-5-12(16)10(13)2/h4-6,8,17H,7H2,1-3H3
InChIKeyQDVVLDSLTYJEJA-UHFFFAOYSA-N
XLogP4.70
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972
4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107619022
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
CID 63999868
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706476
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
CID 60936482
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 60807858
1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43625921
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)methanamine
CID 43625818
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909047
3-bromo-N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylaniline
CID 107329643

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline (CID 107630081) is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline is Cc1cn2c(CNc3cccc(Br)c3C)c(C)nc2s1.
What is the InChIKey of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline?
The InChIKey is QDVVLDSLTYJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-9-8-19-14(11(3)18-15(19)20-9)7-17-13-6-4-5-12(16)10(13)2/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline?
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline has a molecular weight of 350.29 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline is sourced from PubChem (CID 107630081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).