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

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Related Compounds

N-[9-(2-chlorophenyl)-8-methylpurin-6-yl]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 44529819
US9650358, Example 229
CID 90413143
6-Chloro-2-(4-fluorophenyl)-3-(3-thenyl)imidazo[1,2-a]pyridine
CID 51361255
6-Chloro-2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51361270
2-(4-Chlorophenyl)-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]benzothiazole
CID 71453557
3-(3-Chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
CID 155545000
2-(3-Chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
CID 12926114
N-benzyl-6-chloro-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-benzothiazol-2-amine
CID 164928666
6-Methyl-2-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-benzothiazole
CID 465137
N-[7-[(2-chloro-4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]-1,3-benzothiazol-5-amine
CID 178313800
2-[2-(4-Fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
CID 132527617
6-(3-Chloro-4-fluorophenyl)-3-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 117769541

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).