2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole

C23H15N5S — CID 134149275

IUPAC2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1
InChIInChI=1S/C23H15N5S/c1-14-27-18-8-7-16(9-22(18)29-14)28-13-26-21-12-25-20-11-24-19(10-17(20)23(21)28)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyCJSAGIIAFYMWNG-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.55
Rot. Bonds2

About 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole

2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole (PubChem CID 134149275) has the molecular formula C23H15N5S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
PubChem CID134149275
Molecular FormulaC23H15N5S
Molecular Weight393.48 g/mol
Exact Mass393.10
IUPAC Name2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole
SMILESCc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1
InChIInChI=1S/C23H15N5S/c1-14-27-18-8-7-16(9-22(18)29-14)28-13-26-21-12-25-20-11-24-19(10-17(20)23(21)28)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyCJSAGIIAFYMWNG-UHFFFAOYSA-N
XLogP5.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole (CID 134149275) is 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole is Cc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1.
What is the InChIKey of 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole?
The InChIKey is CJSAGIIAFYMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5S/c1-14-27-18-8-7-16(9-22(18)29-14)28-13-26-21-12-25-20-11-24-19(10-17(20)23(21)28)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole?
2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole has a molecular weight of 393.48 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(8-phenylimidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 134149275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).