N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C13H16BrN5S — CID 62129252

IUPACN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(-n2nc(C)c(Br)c2C)nc2sccn12
InChIInChI=1S/C13H16BrN5S/c1-4-15-7-10-12(16-13-18(10)5-6-20-13)19-9(3)11(14)8(2)17-19/h5-6,15H,4,7H2,1-3H3
InChIKeyVKCJNRONMDGPKN-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.07
Rot. Bonds4

About N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 62129252) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID62129252
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC NameN-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(-n2nc(C)c(Br)c2C)nc2sccn12
InChIInChI=1S/C13H16BrN5S/c1-4-15-7-10-12(16-13-18(10)5-6-20-13)19-9(3)11(14)8(2)17-19/h5-6,15H,4,7H2,1-3H3
InChIKeyVKCJNRONMDGPKN-UHFFFAOYSA-N
XLogP3.07
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 62129252) is N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(-n2nc(C)c(Br)c2C)nc2sccn12.
What is the InChIKey of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is VKCJNRONMDGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-4-15-7-10-12(16-13-18(10)5-6-20-13)19-9(3)11(14)8(2)17-19/h5-6,15H,4,7H2,1-3H3.
What are the key properties of N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 354.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62129252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).