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

C14H14BrN3S — CID 43762589

IUPAC2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2scc(C)n2c1CNc1ccccc1Br
InChIInChI=1S/C14H14BrN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQEVXYJOJQDUBLX-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.39
Rot. Bonds3

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

2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 43762589) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID43762589
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1nc2scc(C)n2c1CNc1ccccc1Br
InChIInChI=1S/C14H14BrN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3
InChIKeyQEVXYJOJQDUBLX-UHFFFAOYSA-N
XLogP4.39
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 43762589) is 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1nc2scc(C)n2c1CNc1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is QEVXYJOJQDUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-9-8-19-14-17-10(2)13(18(9)14)7-16-12-6-4-3-5-11(12)15/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 336.26 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 43762589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).