N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C14H12BrN7S — CID 143460943

IUPACN-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Br)cn3c(C4=CCNN=C4)cnc23)sn1
InChIInChI=1S/C14H12BrN7S/c1-8-4-12(23-21-8)20-13-14-16-6-10(9-2-3-17-18-5-9)22(14)7-11(15)19-13/h2,4-7,17H,3H2,1H3,(H,19,20)
InChIKeyQQUGGTKRNLOLJJ-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.97
Rot. Bonds3

About N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 143460943) has the molecular formula C14H12BrN7S and a molecular weight of 390.27 g/mol. Its IUPAC name is N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID143460943
Molecular FormulaC14H12BrN7S
Molecular Weight390.27 g/mol
Exact Mass389.01
IUPAC NameN-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Br)cn3c(C4=CCNN=C4)cnc23)sn1
InChIInChI=1S/C14H12BrN7S/c1-8-4-12(23-21-8)20-13-14-16-6-10(9-2-3-17-18-5-9)22(14)7-11(15)19-13/h2,4-7,17H,3H2,1H3,(H,19,20)
InChIKeyQQUGGTKRNLOLJJ-UHFFFAOYSA-N
XLogP2.97
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 143460943) is N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Br)cn3c(C4=CCNN=C4)cnc23)sn1.
What is the InChIKey of N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is QQUGGTKRNLOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN7S/c1-8-4-12(23-21-8)20-13-14-16-6-10(9-2-3-17-18-5-9)22(14)7-11(15)19-13/h2,4-7,17H,3H2,1H3,(H,19,20).
What are the key properties of N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 390.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-3-(1,6-dihydropyridazin-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143460943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).