2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole

C38H26N4O2S2 — CID 170211104

IUPAC2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole
SMILESCOc1cc(-c2ccncc2)c2cc(COc3cc(-c4nccs4)c4ccccc4c3-c3nccs3)ccc2c1-c1ccncc1
InChIInChI=1S/C38H26N4O2S2/c1-43-33-21-30(25-8-12-39-13-9-25)31-20-24(6-7-29(31)35(33)26-10-14-40-15-11-26)23-44-34-22-32(37-41-16-18-45-37)27-4-2-3-5-28(27)36(34)38-42-17-19-46-38/h2-22H,23H2,1H3
InChIKeyWXGJMHNUSSPWHR-UHFFFAOYSA-N
MW634.79 g/mol
LogP9.95
Rot. Bonds8

About 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole

2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole (PubChem CID 170211104) has the molecular formula C38H26N4O2S2 and a molecular weight of 634.79 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole
PubChem CID170211104
Molecular FormulaC38H26N4O2S2
Molecular Weight634.79 g/mol
Exact Mass634.15
IUPAC Name2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole
SMILESCOc1cc(-c2ccncc2)c2cc(COc3cc(-c4nccs4)c4ccccc4c3-c3nccs3)ccc2c1-c1ccncc1
InChIInChI=1S/C38H26N4O2S2/c1-43-33-21-30(25-8-12-39-13-9-25)31-20-24(6-7-29(31)35(33)26-10-14-40-15-11-26)23-44-34-22-32(37-41-16-18-45-37)27-4-2-3-5-28(27)36(34)38-42-17-19-46-38/h2-22H,23H2,1H3
InChIKeyWXGJMHNUSSPWHR-UHFFFAOYSA-N
XLogP9.95
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.79
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole (CID 170211104) is 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole is COc1cc(-c2ccncc2)c2cc(COc3cc(-c4nccs4)c4ccccc4c3-c3nccs3)ccc2c1-c1ccncc1.
What is the InChIKey of 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole?
The InChIKey is WXGJMHNUSSPWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O2S2/c1-43-33-21-30(25-8-12-39-13-9-25)31-20-24(6-7-29(31)35(33)26-10-14-40-15-11-26)23-44-34-22-32(37-41-16-18-45-37)27-4-2-3-5-28(27)36(34)38-42-17-19-46-38/h2-22H,23H2,1H3.
What are the key properties of 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole?
2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole has a molecular weight of 634.79 g/mol, XLogP of 9.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-5,8-dipyridin-4-ylnaphthalen-2-yl)methoxy]-4-(1,3-thiazol-2-yl)naphthalen-1-yl]-1,3-thiazole is sourced from PubChem (CID 170211104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).