N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine

C22H15N7S — CID 46239666

IUPACN-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine
SMILESNc1cnc2ccc(-c3cn4ccnc4c(Nc4ccc5scnc5c4)n3)cc2c1
InChIInChI=1S/C22H15N7S/c23-15-8-14-7-13(1-3-17(14)25-10-15)19-11-29-6-5-24-22(29)21(28-19)27-16-2-4-20-18(9-16)26-12-30-20/h1-12H,23H2,(H,27,28)
InChIKeyQWMVMARPBJZREH-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.88
Rot. Bonds3

About N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine

N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine (PubChem CID 46239666) has the molecular formula C22H15N7S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine
PubChem CID46239666
Molecular FormulaC22H15N7S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC NameN-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine
SMILESNc1cnc2ccc(-c3cn4ccnc4c(Nc4ccc5scnc5c4)n3)cc2c1
InChIInChI=1S/C22H15N7S/c23-15-8-14-7-13(1-3-17(14)25-10-15)19-11-29-6-5-24-22(29)21(28-19)27-16-2-4-20-18(9-16)26-12-30-20/h1-12H,23H2,(H,27,28)
InChIKeyQWMVMARPBJZREH-UHFFFAOYSA-N
XLogP4.88
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine?
The IUPAC name of N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine (CID 46239666) is N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine?
The canonical SMILES for N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine is Nc1cnc2ccc(-c3cn4ccnc4c(Nc4ccc5scnc5c4)n3)cc2c1.
What is the InChIKey of N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine?
The InChIKey is QWMVMARPBJZREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7S/c23-15-8-14-7-13(1-3-17(14)25-10-15)19-11-29-6-5-24-22(29)21(28-19)27-16-2-4-20-18(9-16)26-12-30-20/h1-12H,23H2,(H,27,28).
What are the key properties of N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine?
N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine has a molecular weight of 409.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-5-amine is sourced from PubChem (CID 46239666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).