N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine

C16H20BrN5S — CID 166306023

IUPACN-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(NCc1cnc2sc(Br)cn12)c1cnn(CC2CCC2)c1
InChIInChI=1S/C16H20BrN5S/c1-11(13-5-20-21(9-13)8-12-3-2-4-12)18-6-14-7-19-16-22(14)10-15(17)23-16/h5,7,9-12,18H,2-4,6,8H2,1H3
InChIKeyZSNZBHUMVCBDJV-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.01
Rot. Bonds6

About N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine

N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine (PubChem CID 166306023) has the molecular formula C16H20BrN5S and a molecular weight of 394.34 g/mol. Its IUPAC name is N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
PubChem CID166306023
Molecular FormulaC16H20BrN5S
Molecular Weight394.34 g/mol
Exact Mass393.06
IUPAC NameN-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(NCc1cnc2sc(Br)cn12)c1cnn(CC2CCC2)c1
InChIInChI=1S/C16H20BrN5S/c1-11(13-5-20-21(9-13)8-12-3-2-4-12)18-6-14-7-19-16-22(14)10-15(17)23-16/h5,7,9-12,18H,2-4,6,8H2,1H3
InChIKeyZSNZBHUMVCBDJV-UHFFFAOYSA-N
XLogP4.01
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine (CID 166306023) is N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine is CC(NCc1cnc2sc(Br)cn12)c1cnn(CC2CCC2)c1.
What is the InChIKey of N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The InChIKey is ZSNZBHUMVCBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5S/c1-11(13-5-20-21(9-13)8-12-3-2-4-12)18-6-14-7-19-16-22(14)10-15(17)23-16/h5,7,9-12,18H,2-4,6,8H2,1H3.
What are the key properties of N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine has a molecular weight of 394.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 166306023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).