3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline

C15H16BrN3OS — CID 63999868

IUPAC3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2c(C)nc3sc(C)cn23)cc1Br
InChIInChI=1S/C15H16BrN3OS/c1-9-8-19-13(10(2)18-15(19)21-9)7-17-11-4-5-14(20-3)12(16)6-11/h4-6,8,17H,7H2,1-3H3
InChIKeyLOSBEIHZBYUCTH-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.40
Rot. Bonds4

About 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline

3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline (PubChem CID 63999868) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
PubChem CID63999868
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC Name3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
SMILESCOc1ccc(NCc2c(C)nc3sc(C)cn23)cc1Br
InChIInChI=1S/C15H16BrN3OS/c1-9-8-19-13(10(2)18-15(19)21-9)7-17-11-4-5-14(20-3)12(16)6-11/h4-6,8,17H,7H2,1-3H3
InChIKeyLOSBEIHZBYUCTH-UHFFFAOYSA-N
XLogP4.40
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107619022
1-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43625921
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-methylaniline
CID 107630081
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
CID 60936482
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43625869
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 60807858
methyl 2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]acetate
CID 43625703
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43625905

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline?
The IUPAC name of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline (CID 63999868) is 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline?
The canonical SMILES for 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline is COc1ccc(NCc2c(C)nc3sc(C)cn23)cc1Br.
What is the InChIKey of 3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline?
The InChIKey is LOSBEIHZBYUCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c1-9-8-19-13(10(2)18-15(19)21-9)7-17-11-4-5-14(20-3)12(16)6-11/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]-4-methoxyaniline?
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline has a molecular weight of 366.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-methoxyaniline is sourced from PubChem (CID 63999868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).