2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine

C23H17N3O2S — CID 155809265

IUPAC2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine
SMILESCOc1ccc(-c2ccc3cnc4sc(-c5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C23H17N3O2S/c1-27-17-8-3-14(4-9-17)19-12-7-16-13-24-23-21(20(16)25-19)26-22(29-23)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3
InChIKeySMCFMSYJMBZJEP-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.59
Rot. Bonds4

About 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine

2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine (PubChem CID 155809265) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine.

Molecular Properties

Compound Name2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine
PubChem CID155809265
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC Name2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine
SMILESCOc1ccc(-c2ccc3cnc4sc(-c5ccc(OC)cc5)nc4c3n2)cc1
InChIInChI=1S/C23H17N3O2S/c1-27-17-8-3-14(4-9-17)19-12-7-16-13-24-23-21(20(16)25-19)26-22(29-23)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3
InChIKeySMCFMSYJMBZJEP-UHFFFAOYSA-N
XLogP5.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine?
The IUPAC name of 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine (CID 155809265) is 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine.
What is the SMILES notation for 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine?
The canonical SMILES for 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine is COc1ccc(-c2ccc3cnc4sc(-c5ccc(OC)cc5)nc4c3n2)cc1.
What is the InChIKey of 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine?
The InChIKey is SMCFMSYJMBZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-27-17-8-3-14(4-9-17)19-12-7-16-13-24-23-21(20(16)25-19)26-22(29-23)15-5-10-18(28-2)11-6-15/h3-13H,1-2H3.
What are the key properties of 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine?
2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine has a molecular weight of 399.48 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(4-methoxyphenyl)-[1,3]thiazolo[5,4-h][1,6]naphthyridine is sourced from PubChem (CID 155809265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).