5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine

C19H11ClFN5S — CID 137372657

IUPAC5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncsc3c2)n2ccnc12
InChIInChI=1S/C19H11ClFN5S/c20-13-7-11(8-14-16(13)24-9-27-14)17-15(10-1-3-12(21)4-2-10)25-18(22)19-23-5-6-26(17)19/h1-9H,(H2,22,25)
InChIKeyOVSNOORYGAPREO-UHFFFAOYSA-N
MW395.85 g/mol
LogP5.05
Rot. Bonds2

About 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine

5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372657) has the molecular formula C19H11ClFN5S and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372657
Molecular FormulaC19H11ClFN5S
Molecular Weight395.85 g/mol
Exact Mass395.04
IUPAC Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncsc3c2)n2ccnc12
InChIInChI=1S/C19H11ClFN5S/c20-13-7-11(8-14-16(13)24-9-27-14)17-15(10-1-3-12(21)4-2-10)25-18(22)19-23-5-6-26(17)19/h1-9H,(H2,22,25)
InChIKeyOVSNOORYGAPREO-UHFFFAOYSA-N
XLogP5.05
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine (CID 137372657) is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncsc3c2)n2ccnc12.
What is the InChIKey of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OVSNOORYGAPREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5S/c20-13-7-11(8-14-16(13)24-9-27-14)17-15(10-1-3-12(21)4-2-10)25-18(22)19-23-5-6-26(17)19/h1-9H,(H2,22,25).
What are the key properties of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine?
5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 395.85 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).